Ingredient ID |
Formulae |
Name |
MW |
AlogP |
MlogP |
XlogP |
# HBA |
# HBD |
PSA |
# Rotatable Bond |
# Ring |
# Heacy Atom |
Lipinski RO5 Violation |
NPC100067 |
C25H28O4 |
|
392.1987594 |
2.4712 |
3.77 |
5.704 |
1 |
3 |
77.76 |
14 |
2 |
29 |
1 |
NPC101001 |
C20H20O6 |
|
356.1259884 |
-0.5148 |
3 |
1.237 |
1 |
4 |
107.22 |
3 |
3 |
26 |
0 |
NPC101045 |
C50H78O16 |
|
934.5289864 |
-2.3351 |
5.2 |
7.756 |
16 |
6 |
245.04 |
15 |
7 |
66 |
4 |
NPC102883 |
C22H22O6 |
|
382.1416384 |
0.3752 |
3.22 |
3.566 |
1 |
1 |
74.22 |
3 |
4 |
28 |
0 |
NPC103116 |
C21H20O7 |
|
384.120903 |
-0.9215 |
3 |
1.915 |
2 |
3 |
105.45 |
8 |
4 |
28 |
0 |
NPC103152 |
C27H34O5 |
4-[(3R)-5,7-dimethoxy-6-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-3-yl]-2-(3-methylbut-2-enyl)benzene-1,3-diol
|
438.2406242 |
2.6032 |
3.88 |
4.822 |
0 |
2 |
68.15 |
7 |
3 |
32 |
0 |
NPC103342 |
C16H12O6 |
Isokaempferide
|
300.06 |
-2.2764 |
2.56 |
1.807 |
2 |
3 |
96.22 |
6 |
3 |
22 |
0 |
NPC103834 |
C42H62O16.H3N |
(2S,3S,4S,5R,6R)-6-[(3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid;azane
|
822.4037859 |
-1.6063 |
4.32 |
4.414 |
16 |
8 |
267.04 |
7 |
7 |
58 |
2 |
NPC10417 |
C31H50O4 |
methyl (2S,4aS,6bR,9S,10S,12aR,14bR)-10-hydroxy-9-(hydroxymethyl)-2,4a,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carboxylate
|
486.3709101 |
1.2901 |
4.43 |
8.67 |
4 |
2 |
66.76 |
3 |
5 |
35 |
1 |
NPC104555 |
C22H22O6 |
7-hydroxy-3-[6-hydroxy-2,4-dimethoxy-3-(3-methylbut-2-enyl)phenyl]chromen-4-one
|
382.1416384 |
0.1865 |
3.22 |
3.057 |
1 |
2 |
85.22 |
5 |
3 |
28 |
0 |
NPC10467 |
C16H12O5 |
Formonetin
|
284.07 |
-1.6391 |
2.67 |
2.46 |
1 |
2 |
75.99 |
5 |
3 |
21 |
0 |
NPC105243 |
C31H44O6 |
|
512.3137891 |
1.0882 |
4.21 |
4.546 |
6 |
1 |
89.9 |
2 |
6 |
37 |
0 |
NPC106976 |
C20H20O6 |
Sigmoidin B
|
356.13 |
-0.3973 |
3 |
1.833 |
1 |
4 |
107.22 |
9 |
3 |
26 |
0 |
NPC107218 |
C21H20O6 |
|
368.1259884 |
-0.6156 |
3.11 |
1.686 |
1 |
2 |
85.22 |
2 |
4 |
27 |
0 |
NPC107454 |
C19H25NO10 |
(2R)-2-phenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyacetonitrile
|
427.147846 |
-3.5658 |
2.34 |
-0.397 |
11 |
6 |
182.09 |
6 |
3 |
30 |
2 |
NPC107485 |
C16H10O6 |
3,9-dihydroxy-1-methoxy-[1]benzofuro[3,2-c]chromen-6-one
|
298.047738 |
-1.2176 |
2.56 |
1.508 |
1 |
2 |
89.13 |
1 |
4 |
22 |
0 |
NPC107488 |
C35H35NO14 |
|
693.2057548 |
-4.5609 |
3.66 |
1.881 |
12 |
7 |
226.69 |
10 |
7 |
50 |
2 |
NPC107572 |
C20H20O5 |
Sophoraflavanone B
|
340.13 |
0.063 |
3.11 |
2.367 |
1 |
3 |
86.99 |
8 |
3 |
25 |
0 |
NPC107852 |
C30H48O3 |
(2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bS)-10-hydroxy-2-(hydroxymethyl)-2,4a,6a,6b,9,9,12a-heptamethyl-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picen-13-one
|
456.3603454 |
1.4742 |
4.43 |
7.052 |
3 |
2 |
57.53 |
1 |
5 |
33 |
1 |
NPC108406 |
C16H12O6 |
2-(3,4-Dihydroxyphenyl)-5-Hydroxy-7-Methoxychromen-4-One
|
300.06 |
-1.9363 |
2.56 |
1.552 |
1 |
3 |
96.22 |
6 |
3 |
22 |
0 |
NPC108455 |
C13H16O10 |
Beta-Glucogallin
|
332.07 |
-3.5251 |
1.79 |
-1.304 |
7 |
7 |
177.14 |
11 |
2 |
23 |
1 |
NPC109223 |
C20H20O5 |
(2S)-5,7-dihydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-2,3-dihydrochromen-4-one
|
340.1310737 |
0.063 |
3.11 |
2.367 |
1 |
3 |
86.99 |
3 |
3 |
25 |
0 |
NPC10937 |
C20H20O5 |
(2S)-Abyssinone Ii
|
340.13 |
0.063 |
3.11 |
2.367 |
1 |
3 |
86.99 |
8 |
3 |
25 |
0 |
NPC109445 |
C30H44O4 |
|
468.3239599 |
1.719 |
4.32 |
5.48 |
4 |
1 |
63.6 |
0 |
6 |
34 |
1 |
NPC109594 |
C26H28O14 |
|
564.1479056 |
-5.8452 |
2.78 |
-2.34 |
10 |
10 |
247.06 |
14 |
5 |
40 |
1 |
NPC109816 |
C26H28O16 |
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8-(3,4,5-trihydroxyoxan-2-yl)oxychromen-4-one
|
596.1377348 |
-5.7882 |
2.56 |
-2.332 |
10 |
10 |
265.52 |
6 |
5 |
42 |
1 |
NPC110419 |
C16H14O5 |
Licochalcone B
|
286.08 |
-1.3354 |
2.67 |
2.109 |
1 |
3 |
86.99 |
8 |
2 |
21 |
0 |
NPC110942 |
C21H20O11 |
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
448.1005615 |
-4.4318 |
2.56 |
0.18 |
7 |
7 |
186.37 |
4 |
4 |
32 |
1 |
NPC112240 |
C8H10N2O |
3-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
|
150.0793129 |
-1.0947 |
2.01 |
1.034 |
3 |
0 |
32.67 |
0 |
2 |
11 |
0 |
NPC112701 |
C27H30O15 |
Vicenin-2
|
594.16 |
-6.3559 |
2.78 |
-2.583 |
11 |
11 |
267.29 |
16 |
5 |
42 |
2 |
NPC113086 |
C42H62O15 |
(2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6S)-2-[[(2R,6aR,8aS,11S,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,14a-dodecahydropicen-2-yl]oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
|
806.4088713 |
-0.2041 |
4.43 |
6.28 |
15 |
8 |
249.97 |
7 |
7 |
57 |
3 |
NPC113414 |
C35H36O15 |
[(4S,5S)-5-[(2S,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-[4-[(2S)-7-hydroxy-4-oxo-2,3-dihydrochromen-2-yl]phenoxy]oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
|
696.2054205 |
-4.2397 |
3.66 |
1.692 |
11 |
7 |
231.13 |
11 |
6 |
50 |
3 |
NPC114408 |
C48H74O17 |
(2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[(3S,4aS,6aR,6bS,8aR,9R,12aR,14aR,14bS)-4,4,6a,6b,8a,11,11,14b-octamethyl-14-oxo-9-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
|
922.4926009 |
-2.3105 |
4.87 |
6.18 |
17 |
10 |
290.43 |
6 |
8 |
65 |
3 |
NPC114478 |
C21H22O4 |
2-(8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl)-5-methoxyphenol
|
338.1518092 |
0.2683 |
3.33 |
3.726 |
0 |
1 |
47.92 |
2 |
4 |
25 |
0 |
NPC115159 |
C15H12O4 |
(Z)-1-(2,4-Dihydroxyphenyl)-3-(4-Hydroxyphenyl)Prop-2-En-1-One
|
256.07 |
-1.2836 |
2.67 |
2.764 |
1 |
3 |
77.76 |
6 |
2 |
19 |
0 |
NPC115373 |
C20H20O5 |
4-(4-methoxy-7,7-dimethyl-5,6-dihydrofuro[3,2-g]chromen-2-yl)benzene-1,3-diol
|
340.1310737 |
-0.3685 |
3.11 |
3.042 |
0 |
2 |
72.06 |
2 |
4 |
25 |
0 |
NPC115432 |
C22H20O6 |
|
380.1259884 |
1.0683 |
3.22 |
3.497 |
1 |
1 |
78.13 |
9 |
4 |
28 |
0 |
NPC116775 |
C15H10O6 |
Kaempferol
|
286.05 |
-2.3409 |
2.45 |
1.915 |
2 |
4 |
107.22 |
5 |
3 |
21 |
0 |
NPC117736 |
C41H62O14 |
6-[(11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl)oxy]-5-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
|
778.4139567 |
-1.3703 |
4.43 |
4.457 |
14 |
7 |
229.74 |
7 |
7 |
55 |
2 |
NPC118683 |
C20H20O4 |
Glabridin
|
324.14 |
-0.1402 |
3.22 |
3.207 |
0 |
2 |
58.92 |
5 |
4 |
24 |
0 |
NPC119474 |
C26H30O5 |
1-methoxy-2,8-bis(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol
|
422.2093241 |
2.1293 |
3.77 |
4.291 |
0 |
2 |
68.15 |
5 |
4 |
31 |
0 |
NPC119979 |
C42H62O16 |
6-[2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
|
822.4037859 |
-1.6063 |
4.32 |
4.414 |
16 |
8 |
267.04 |
7 |
7 |
58 |
2 |
NPC123205 |
C42H62O16 |
(2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
|
822.4037859 |
-1.6063 |
4.32 |
4.414 |
16 |
8 |
267.04 |
7 |
7 |
58 |
2 |
NPC124263 |
C11H15N |
2,4-dimethyl-5,6,7,8-tetrahydroquinoline
|
161.1204495 |
0.8235 |
2.56 |
3.416 |
1 |
0 |
12.89 |
0 |
2 |
12 |
0 |
NPC124310 |
C20H18O7 |
|
370.1052529 |
-0.9238 |
2.89 |
2.851 |
2 |
5 |
127.45 |
3 |
3 |
27 |
0 |
NPC126029 |
C15H14O6 |
(-)-Epicatechin
|
290.08 |
-2.494 |
2.45 |
0.406 |
1 |
5 |
110.38 |
6 |
3 |
21 |
0 |
NPC127394 |
C13H16N2O |
(1R)-7-methoxy-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
|
216.1262631 |
-0.6245 |
2.56 |
1.78 |
2 |
2 |
37.05 |
1 |
3 |
16 |
0 |
NPC129294 |
C26H30O6 |
|
438.2042387 |
1.7711 |
3.66 |
3.226 |
1 |
3 |
96.22 |
6 |
3 |
32 |
0 |
NPC129784 |
C21H22O5 |
|
354.1467238 |
0.2519 |
3.22 |
2.821 |
0 |
2 |
68.15 |
8 |
4 |
26 |
0 |
NPC130899 |
C25H30O5 |
|
410.2093241 |
1.5551 |
3.66 |
4.477 |
2 |
4 |
97.99 |
16 |
2 |
30 |
0 |
NPC131276 |
C35H36O15 |
[(3S,4R,5S)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[4-[(2R)-7-hydroxy-4-oxo-2,3-dihydrochromen-2-yl]phenoxy]oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
|
696.2054205 |
-4.2397 |
3.66 |
1.692 |
11 |
7 |
231.13 |
11 |
6 |
50 |
3 |
NPC131415 |
C21H20O6 |
|
368.1259884 |
-0.222 |
3.11 |
2.538 |
1 |
3 |
96.22 |
4 |
3 |
27 |
0 |
NPC132767 |
C48H70O20 |
|
966.4460446 |
-2.8173 |
4.54 |
2.315 |
20 |
9 |
314.96 |
8 |
9 |
68 |
2 |
NPC13353 |
C20H18O7 |
|
370.1052529 |
-2.0559 |
2.89 |
1.11 |
2 |
4 |
116.45 |
1 |
4 |
27 |
0 |
NPC133671 |
C21H20O11 |
Astragalin
|
448.1 |
-4.4318 |
2.56 |
0.18 |
7 |
7 |
186.37 |
11 |
4 |
32 |
1 |
NPC133909 |
C15H14O4 |
|
258.0892089 |
-1.5475 |
2.67 |
2.512 |
1 |
3 |
77.76 |
7 |
2 |
19 |
0 |
NPC134360 |
C20H18O4 |
|
322.1205091 |
0.1169 |
3.22 |
3.072 |
0 |
2 |
58.92 |
5 |
4 |
24 |
0 |
NPC135325 |
C21H22O5 |
Glycybenzofuran
|
354.15 |
0.9326 |
3.22 |
3.033 |
0 |
3 |
83.06 |
11 |
3 |
26 |
0 |
NPC135743 |
C21H20O6 |
3-[4,6-dihydroxy-2-methoxy-3-(3-methylbut-2-enyl)phenyl]-7-hydroxychromen-4-one
|
368.1259884 |
-0.222 |
3.11 |
2.538 |
1 |
3 |
96.22 |
4 |
3 |
27 |
0 |
NPC136202 |
C42H64O16 |
|
824.419436 |
-2.2503 |
4.32 |
5.589 |
16 |
9 |
270.2 |
8 |
7 |
58 |
3 |
NPC136268 |
C21H20O6 |
5,7-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-6-(3-methylbut-2-enyl)chromen-4-one
|
368.1259884 |
-0.222 |
3.11 |
2.538 |
1 |
3 |
96.22 |
4 |
3 |
27 |
0 |
NPC136745 |
C22H22O9 |
8-methoxy-2-phenyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
430.1263823 |
-2.7626 |
2.89 |
2.574 |
6 |
4 |
134.91 |
5 |
4 |
31 |
0 |
NPC13768 |
C15H12O4 |
(R)-Pinocembrin
|
256.07 |
-1.3541 |
2.67 |
2.493 |
1 |
2 |
66.76 |
3 |
3 |
19 |
0 |
NPC137949 |
C9H6O4 |
Esculetin
|
178.03 |
-0.6506 |
2.01 |
0.998 |
1 |
2 |
66.76 |
2 |
2 |
13 |
0 |
NPC138205 |
C20H18O6 |
(3R)-5,7-dihydroxy-3-(5-hydroxy-2,2-dimethylchromen-6-yl)-2,3-dihydrochromen-4-one
|
354.1103383 |
-1.0241 |
3 |
1.167 |
1 |
3 |
96.22 |
1 |
4 |
26 |
0 |
NPC13848 |
C21H22O5 |
3-(8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl)-6-methoxybenzene-1,2-diol
|
354.1467238 |
-0.192 |
3.22 |
3.192 |
0 |
2 |
68.15 |
2 |
4 |
26 |
0 |
NPC139891 |
C9H6O2 |
Coumarin
|
146.04 |
0.27 |
2.23 |
2.706 |
1 |
0 |
26.3 |
0 |
2 |
11 |
0 |
NPC140034 |
C21H16O6 |
|
364.0946882 |
0.1505 |
3.11 |
2.908 |
1 |
1 |
78.13 |
1 |
5 |
27 |
0 |
NPC142048 |
C42H62O17 |
|
838.3987005 |
-2.697 |
4.21 |
3.282 |
17 |
9 |
287.27 |
8 |
7 |
59 |
2 |
NPC142122 |
C30H46O4 |
(2R,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid
|
470.33961 |
1.6831 |
4.32 |
6.745 |
4 |
2 |
74.6 |
1 |
5 |
34 |
1 |
NPC142379 |
C42H64O16 |
(2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6S)-2-[[(3S,4S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bR)-11-carboxy-4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
|
824.419436 |
-2.2503 |
4.32 |
5.589 |
16 |
9 |
270.2 |
8 |
7 |
58 |
3 |
NPC142415 |
C30H48O3 |
Oleanolic_Acid
|
456.36 |
2.1298 |
4.43 |
9.052 |
3 |
2 |
57.53 |
10 |
5 |
33 |
1 |
NPC142543 |
C21H20O7 |
2-[4,5-dihydroxy-2-(3-methylbut-2-enyl)phenyl]-5,6-dihydroxy-3-methoxychromen-4-one
|
384.120903 |
-0.8593 |
3 |
3.383 |
2 |
4 |
116.45 |
4 |
3 |
28 |
0 |
NPC144118 |
C20H18O5 |
|
338.1154237 |
-0.1702 |
3.11 |
2.982 |
1 |
3 |
86.99 |
8 |
3 |
25 |
0 |
NPC145067 |
C30H46O4 |
|
470.33961 |
1.6831 |
4.32 |
6.745 |
4 |
2 |
74.6 |
10 |
5 |
34 |
1 |
NPC145467 |
C27H32O6 |
|
452.2198887 |
2.1796 |
3.77 |
3.745 |
1 |
2 |
85.22 |
15 |
3 |
33 |
0 |
NPC146103 |
C26H32O5 |
4-[(7R)-5-methoxy-2,2-dimethyl-4,6,7,8-tetrahydro-3H-pyrano[3,2-g]chromen-7-yl]-2-(3-methylbut-2-enyl)benzene-1,3-diol
|
424.2249741 |
1.5356 |
3.77 |
4.424 |
0 |
2 |
68.15 |
4 |
4 |
31 |
0 |
NPC14617 |
C42H62O16.2K |
|
820.3881358 |
-2.9619 |
4.32 |
2.594 |
16 |
6 |
272.7 |
22 |
7 |
58 |
2 |
NPC146527 |
C21H22O4 |
2-(2,2-dimethyl-7,8-dihydro-6H-pyrano[3,2-g]chromen-7-yl)-5-methoxyphenol
|
338.1518092 |
0.2683 |
3.33 |
3.726 |
0 |
1 |
47.92 |
2 |
4 |
25 |
0 |
NPC146614 |
C25H26O4 |
6-(8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl)-2,2-dimethylchromen-5-ol
|
390.1831093 |
1.2279 |
3.77 |
4.607 |
0 |
1 |
47.92 |
1 |
5 |
29 |
0 |
NPC146679 |
C17H14O6 |
Kumatakenin
|
314.08 |
-1.8679 |
2.67 |
2.326 |
2 |
2 |
85.22 |
7 |
3 |
23 |
0 |
NPC146753 |
C42H62O17 |
(2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6S)-2-[[(3S,4S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
|
838.3987005 |
-2.697 |
4.21 |
3.282 |
17 |
9 |
287.27 |
8 |
7 |
59 |
2 |
NPC147686 |
C15H12O4 |
Liquirtigenin
|
256.07 |
-1.3541 |
2.67 |
1.86 |
1 |
2 |
66.76 |
3 |
3 |
19 |
0 |
NPC147696 |
C24H30O4 |
5-[2-(3,4-dihydroxyphenyl)ethyl]-2,4-bis(3-methylbut-2-enyl)benzene-1,3-diol
|
382.2144094 |
2.0384 |
3.66 |
5.415 |
0 |
4 |
80.92 |
7 |
2 |
28 |
1 |
NPC147752 |
C21H20O6 |
|
368.1259884 |
0.1785 |
3.11 |
3.926 |
2 |
4 |
107.22 |
3 |
3 |
27 |
0 |
NPC148057 |
C17H19NO3 |
|
285.1364935 |
-0.0997 |
2.89 |
0.789 |
2 |
0 |
38.77 |
1 |
4 |
21 |
0 |
NPC14875 |
C21H22O5 |
|
354.1467238 |
-0.4231 |
3.22 |
3.204 |
2 |
2 |
75.99 |
10 |
3 |
26 |
0 |
NPC148822 |
C48H74O16 |
(2S,4aS,6bR,12aS)-10-[(2R,3R,4S,5S,6S)-6-butoxycarbonyl-3-[(2R,3R,4S,5S,6S)-6-ethoxycarbonyl-3,4,5-trihydroxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid
|
906.4976863 |
-1.4693 |
4.98 |
6.829 |
16 |
6 |
245.04 |
13 |
7 |
64 |
4 |
NPC149064 |
C21H18O6 |
|
366.1103383 |
7.00E-04 |
3.11 |
3.099 |
1 |
1 |
78.13 |
1 |
5 |
27 |
0 |
NPC149368 |
C26H30O13 |
Isoliquiritin Apioside
|
550.17 |
-4.4392 |
2.89 |
0.319 |
10 |
8 |
215.83 |
17 |
4 |
39 |
1 |
NPC149389 |
C32H26O10 |
Rel-Licobichalcone
|
570.15 |
-3.267 |
3.88 |
2.742 |
2 |
6 |
173.98 |
15 |
5 |
42 |
1 |
NPC149992 |
C29H48O4 |
icosyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
|
460.35526 |
-5.7717 |
4.21 |
11.916 |
2 |
2 |
66.76 |
22 |
1 |
33 |
2 |
NPC150408 |
C25H28O4 |
Glabrol
|
392.2 |
2.4007 |
3.77 |
4.8 |
1 |
2 |
66.76 |
11 |
3 |
29 |
0 |
NPC151898 |
C15H12O4 |
(2R)-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
|
256.0735589 |
-1.3541 |
2.67 |
1.86 |
1 |
2 |
66.76 |
1 |
3 |
19 |
0 |
NPC153056 |
C35H36O15 |
[(3S,4R,5S)-5-[(2S,3R,4S,5S,6R)-2-[4-[(E)-3-(2,4-dihydroxyphenyl)-3-oxoprop-1-enyl]phenoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
|
696.2054205 |
-4.1692 |
3.66 |
2.596 |
11 |
8 |
242.13 |
13 |
5 |
50 |
3 |
NPC153497 |
C21H36O10 |
(2S,3R,4S,5S,6R)-2-[(3R)-3,7-dimethylocta-1,6-dien-3-yl]oxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
|
448.2308474 |
-0.5139 |
2.67 |
0.066 |
10 |
6 |
158.3 |
9 |
2 |
31 |
1 |
NPC153784 |
C27H30O14 |
5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6-[(2S,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]chromen-4-one
|
578.1635556 |
-5.8559 |
2.89 |
-1.88 |
10 |
10 |
247.06 |
4 |
5 |
41 |
1 |
NPC155067 |
C42H62O17 |
(2S,3S,4S,5R,6R)-6-[[2-carboxy-10-[(2R,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-11-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12-dodecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
|
838.3987005 |
-1.3503 |
4.21 |
3.594 |
17 |
10 |
290.43 |
7 |
7 |
59 |
2 |
NPC155297 |
C42H62O16 |
6-[6-carboxy-2-[(11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl)oxy]-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
|
822.4037859 |
-1.6063 |
4.32 |
4.414 |
16 |
8 |
267.04 |
7 |
7 |
58 |
2 |
NPC155640 |
C21H18O6 |
Isoglycyrol
|
366.11 |
7.00E-04 |
3.11 |
3.099 |
1 |
1 |
78.13 |
5 |
5 |
27 |
0 |
NPC15658 |
C15H14O6 |
(-)-Catechin
|
290.08 |
-2.494 |
2.45 |
0.406 |
1 |
5 |
110.38 |
6 |
3 |
21 |
0 |
NPC156654 |
C7H6O4 |
Protocatechuic Acid
|
154.03 |
-1.1604 |
1.79 |
0.536 |
2 |
3 |
77.76 |
4 |
1 |
11 |
0 |
NPC156858 |
C42H58O18 |
|
850.362315 |
-2.4522 |
4.1 |
2.956 |
18 |
8 |
293.34 |
7 |
8 |
60 |
2 |
NPC157133 |
C21H22O5 |
Licochalcone D
|
354.15 |
0.542 |
3.22 |
3.579 |
1 |
3 |
86.99 |
12 |
2 |
26 |
0 |
NPC157253 |
C42H62O17 |
(2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6S)-2-[[(3S,4S,6aR,8aS,11S,14bS)-11-carboxy-4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
|
838.3987005 |
-2.697 |
4.21 |
3.282 |
17 |
9 |
287.27 |
8 |
7 |
59 |
2 |
NPC157741 |
C42H64O16 |
(2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aR,9R,11R,12aS,14aR,14bS)-9-hydroxy-11-(hydroxymethyl)-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
|
824.419436 |
-2.3883 |
4.32 |
2.636 |
16 |
9 |
270.2 |
7 |
7 |
58 |
2 |
NPC157784 |
C20H18O7 |
|
370.1052529 |
-0.9238 |
2.89 |
2.851 |
2 |
5 |
127.45 |
10 |
3 |
27 |
0 |
NPC157857 |
C7H14O6 |
(1R,2R,4R,5S)-6-methoxycyclohexane-1,2,3,4,5-pentol
|
194.0790382 |
-2.6557 |
1.57 |
-1.797 |
6 |
5 |
110.38 |
1 |
1 |
13 |
0 |
NPC158222 |
C15H12O4 |
(E)-3-(2,4-Dihydroxyphenyl)-1-(4-Hydroxyphenyl)Prop-2-En-1-One
|
256.07 |
-1.2836 |
2.67 |
2.124 |
1 |
3 |
77.76 |
6 |
2 |
19 |
0 |
NPC158267 |
C21H20O7 |
|
384.120903 |
-0.7996 |
3 |
2.017 |
2 |
3 |
105.45 |
2 |
4 |
28 |
0 |
NPC158306 |
C30H46O9 |
3-[(5R,10R,14S)-3-[(2R,3S,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-14-hydroxy-10-(hydroxymethyl)-13-methyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
|
550.3141831 |
-1.9616 |
3.77 |
1.387 |
9 |
4 |
134.91 |
5 |
6 |
39 |
0 |
NPC158728 |
C26H30O5 |
|
422.2093241 |
2.4649 |
3.77 |
4.204 |
1 |
3 |
86.99 |
5 |
3 |
31 |
0 |
NPC158878 |
C30H44O4 |
|
468.3239599 |
1.6801 |
4.32 |
6.221 |
4 |
2 |
66.76 |
1 |
6 |
34 |
1 |
NPC15998 |
C44H64O19 |
(2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6S)-2-[[(3S,4S,4aR,6aR,6bS,8aR,9R,11R,12aS,14aR,14bS)-9-acetyloxy-11-carboxy-4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
|
896.4041798 |
-2.891 |
4.21 |
1.937 |
19 |
9 |
313.57 |
10 |
7 |
63 |
2 |
NPC160512 |
C22H18O10 |
Epicatechin Gallate
|
442.09 |
-3.5057 |
2.78 |
1.228 |
2 |
7 |
177.14 |
11 |
4 |
32 |
1 |
NPC160902 |
C48H72O21 |
|
984.4566093 |
-3.5107 |
4.43 |
3.108 |
21 |
11 |
346.19 |
10 |
8 |
69 |
2 |
NPC161000 |
C26H44O5 |
2-methyl-6-[(5S,10S)-3,7,12-trihydroxy-10-methyl-1,2,3,4,5,6,7,8,9,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-17-yl]heptanoic acid
|
436.3188745 |
-1.3607 |
3.77 |
5.129 |
5 |
4 |
97.99 |
6 |
4 |
31 |
1 |
NPC16107 |
C21H25NO4 |
2,3,9,10-Tetramethoxy-6,8,13,13A-Tetrahydro-5H-Isoquinolino[2,1-B]Isoquinoline
|
355.18 |
0.0968 |
3.22 |
2.548 |
1 |
0 |
40.16 |
8 |
4 |
26 |
0 |
NPC161124 |
C20H18O5 |
3-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-7-hydroxychromen-4-one
|
338.1154237 |
-0.1702 |
3.11 |
2.982 |
1 |
3 |
86.99 |
3 |
3 |
25 |
0 |
NPC16194 |
C28H32O16 |
5,7-Dihydroxy-2-(4-Hydroxy-3-Methoxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-[[(3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyloxan-2-Yl]Oxymethyl]Oxan-2-Yl]Oxychromen-4-One
|
624.17 |
-5.7305 |
2.78 |
-1.098 |
11 |
9 |
254.52 |
18 |
5 |
44 |
2 |
NPC162821 |
C22H26O5 |
|
370.1780239 |
0.7258 |
3.33 |
3.352 |
0 |
2 |
68.15 |
5 |
3 |
27 |
0 |
NPC163641 |
C21H22O9 |
|
418.1263823 |
-3.0305 |
2.78 |
1.656 |
6 |
6 |
156.91 |
6 |
3 |
30 |
1 |
NPC164838 |
C20H16O6 |
1,3,9-trihydroxy-2-(3-methylbut-2-enyl)-[1]benzofuro[3,2-c]chromen-6-one
|
352.0946882 |
0.2513 |
3 |
2.459 |
1 |
3 |
100.13 |
2 |
4 |
26 |
0 |
NPC165357 |
C41H62O14 |
6-[(11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl)oxy]-3,4-dihydroxy-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxane-2-carboxylic acid
|
778.4139567 |
-1.1978 |
4.43 |
4.5 |
14 |
7 |
229.74 |
6 |
7 |
55 |
2 |
NPC165464 |
C21H22O5 |
4-(8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl)-2-methoxybenzene-1,3-diol
|
354.1467238 |
-0.192 |
3.22 |
2.763 |
0 |
2 |
68.15 |
2 |
4 |
26 |
0 |
NPC166036 |
C21H20O6 |
Glisoflavone
|
368.13 |
-0.222 |
3.11 |
2.967 |
1 |
3 |
96.22 |
10 |
3 |
27 |
0 |
NPC167031 |
C22H26O9 |
(2S,3R,4S,5S,6R)-2-[[(3R)-3-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
|
434.1576824 |
-2.8467 |
2.89 |
1.218 |
5 |
5 |
138.07 |
5 |
4 |
31 |
0 |
NPC168033 |
C30H46O5 |
(2S,3R,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-3,10-dihydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid
|
486.3345246 |
1.11 |
4.21 |
5.722 |
5 |
3 |
94.83 |
1 |
5 |
35 |
1 |
NPC168722 |
C36H38O16 |
[(4S,5S)-5-[(2S,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-[4-[(2S)-7-hydroxy-4-oxo-2,3-dihydrochromen-2-yl]phenoxy]oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
726.2159851 |
-4.2915 |
3.66 |
1.037 |
11 |
7 |
240.36 |
12 |
6 |
52 |
3 |
NPC169162 |
C25H26O6 |
3-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-8-(3-methylbut-2-enyl)chromen-4-one
|
422.1729386 |
1.2469 |
3.55 |
3.918 |
1 |
4 |
107.22 |
5 |
3 |
31 |
0 |
NPC169516 |
C21H22O5 |
|
354.1467238 |
0.5744 |
3.22 |
2.698 |
0 |
3 |
79.15 |
4 |
3 |
26 |
0 |
NPC170475 |
C21H22O9 |
Liquiritin
|
418.13 |
-3.101 |
2.78 |
0.752 |
6 |
5 |
145.91 |
9 |
4 |
30 |
0 |
NPC171821 |
C20H18O7 |
3,5,7-trihydroxy-2-(3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)chromen-4-one
|
370.1052529 |
-1.8889 |
2.89 |
2.476 |
3 |
4 |
116.45 |
1 |
4 |
27 |
0 |
NPC171916 |
C25H26O6 |
6,8-Diprenylorobo
|
422.17 |
1.2469 |
3.55 |
3.918 |
1 |
4 |
107.22 |
13 |
3 |
31 |
0 |
NPC172262 |
C15H10O4 |
7-Hydroxy-2-(4-Hydroxyphenyl)Chromen-4-One
|
254.06 |
-1.4242 |
2.67 |
2.53 |
1 |
2 |
66.76 |
3 |
3 |
19 |
0 |
NPC172425 |
C26H32O5 |
4-[5-hydroxy-7-methoxy-6-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-3-yl]-2-[(E)-3-methylbut-1-enyl]benzene-1,3-diol
|
424.2249741 |
1.358 |
3.77 |
5.006 |
0 |
3 |
79.15 |
6 |
3 |
31 |
1 |
NPC172462 |
C43H62O16 |
|
834.4037859 |
-1.0323 |
4.43 |
3.561 |
16 |
7 |
256.04 |
6 |
8 |
59 |
2 |
NPC172960 |
C20H18O7 |
|
370.1052529 |
-1.8889 |
2.89 |
2.476 |
3 |
4 |
116.45 |
1 |
4 |
27 |
0 |
NPC172986 |
C25H26O4 |
Licoflavone B
|
390.18 |
2.3306 |
3.77 |
5.47 |
1 |
2 |
66.76 |
11 |
3 |
29 |
1 |
NPC173058 |
C50H76O21 |
|
1012.487909 |
-2.0218 |
4.65 |
5.709 |
21 |
10 |
335.19 |
11 |
8 |
71 |
4 |
NPC176663 |
C21H18O6 |
|
366.1103383 |
7.00E-04 |
3.11 |
3.099 |
1 |
1 |
78.13 |
1 |
5 |
27 |
0 |
NPC176740 |
C27H30O16 |
Rutin
|
610.15 |
-6.139 |
2.67 |
-1.188 |
11 |
10 |
265.52 |
17 |
5 |
43 |
2 |
NPC176945 |
C20H18O6 |
5,7-dihydroxy-3-(5-hydroxy-2,2-dimethylchromen-6-yl)-2,3-dihydrochromen-4-one
|
354.1103383 |
-1.0241 |
3 |
1.167 |
1 |
3 |
96.22 |
1 |
4 |
26 |
0 |
NPC177058 |
C42H62O16 |
(3S,4S,6R)-6-[(2R,4S,5S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
|
822.4037859 |
-1.6063 |
4.32 |
4.414 |
16 |
8 |
267.04 |
7 |
7 |
58 |
2 |
NPC177445 |
C21H22O9 |
|
418.1263823 |
-3.0613 |
2.78 |
0.492 |
5 |
5 |
145.91 |
3 |
4 |
30 |
0 |
NPC178851 |
C20H24O9 |
|
408.1420323 |
-2.3312 |
2.67 |
0.815 |
6 |
5 |
145.91 |
13 |
3 |
29 |
0 |
NPC179222 |
C25H28O5 |
(Z)-1-[2,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-3-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]prop-2-en-1-one
|
408.193674 |
1.9081 |
3.66 |
5.079 |
2 |
4 |
97.99 |
7 |
2 |
30 |
1 |
NPC179950 |
C21H20O12 |
Isoquercetin
|
464.1 |
-4.8921 |
2.45 |
-0.354 |
7 |
8 |
206.6 |
12 |
4 |
33 |
1 |
NPC180559 |
C50H74O22 |
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aR,9R,11R,12aS,14aR,14bS)-9-acetyloxy-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-5-[(2R,3R,4S,5S,6S)-6-carboxy-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
|
1026.467174 |
-3.0472 |
4.54 |
2.235 |
22 |
10 |
352.26 |
11 |
8 |
72 |
3 |
NPC181124 |
C16H12O4 |
|
268.0735589 |
-1.1788 |
2.78 |
2.994 |
1 |
1 |
55.76 |
4 |
3 |
20 |
0 |
NPC181465 |
C27H30O15 |
Nicotifloroside
|
594.16 |
-5.6787 |
2.78 |
-0.654 |
11 |
9 |
245.29 |
16 |
5 |
42 |
2 |
NPC182342 |
C44H64O18 |
(2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aR,9R,11R,12aS,14aR,14bS)-9-acetyloxy-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
|
880.4092652 |
-1.8003 |
4.32 |
3.069 |
18 |
8 |
293.34 |
9 |
7 |
62 |
2 |
NPC182377 |
C48H74O16 |
|
906.4976863 |
-1.4693 |
4.98 |
6.829 |
16 |
6 |
245.04 |
13 |
7 |
64 |
4 |
NPC183509 |
C21H22O9 |
7-hydroxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,3-dihydrochromen-4-one
|
418.1263823 |
-3.101 |
2.78 |
0.752 |
6 |
5 |
145.91 |
4 |
4 |
30 |
0 |
NPC183642 |
C22H22O6 |
|
382.1416384 |
1.0343 |
3.22 |
3.445 |
1 |
2 |
85.22 |
11 |
3 |
28 |
0 |
NPC183671 |
C20H18O5 |
5-hydroxy-3-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-4-oxochromen-7-olate
|
337.1075986 |
-0.504 |
3.11 |
2.982 |
1 |
2 |
89.82 |
3 |
3 |
25 |
0 |
NPC183950 |
C16H12O6 |
Chrysoeriol
|
300.06 |
-1.9363 |
2.56 |
1.123 |
1 |
3 |
96.22 |
6 |
3 |
22 |
0 |
NPC185290 |
C19H34O2 |
methyl (9E,13E)-octadeca-9,13-dienoate
|
294.2558803 |
0.0393 |
3.33 |
7.997 |
2 |
0 |
26.3 |
15 |
0 |
21 |
2 |
NPC187145 |
C20H19N3O2 |
3-(1H-Benzimidazol-2-Yl)-7-(Diethylamino)Chromen-2-One
|
333.15 |
0.4793 |
3.11 |
4.231 |
4 |
1 |
58.22 |
6 |
4 |
25 |
0 |
NPC187432 |
C15H10O5 |
Galangin
|
270.05 |
-1.8806 |
2.56 |
3.511 |
2 |
3 |
86.99 |
4 |
3 |
20 |
0 |
NPC18775 |
C31H50O4 |
|
486.3709101 |
1.2901 |
4.43 |
8.67 |
4 |
2 |
66.76 |
3 |
5 |
35 |
1 |
NPC188256 |
C30H44O5 |
|
484.3188745 |
1.3034 |
4.21 |
4.226 |
5 |
2 |
83.83 |
1 |
6 |
35 |
0 |
NPC188357 |
C26H28O6 |
|
436.1885886 |
1.6554 |
3.66 |
4.008 |
1 |
3 |
96.22 |
6 |
3 |
32 |
0 |
NPC188396 |
C20H18O4 |
4-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)benzene-1,3-diol
|
322.1205091 |
0.1169 |
3.22 |
3.072 |
0 |
2 |
58.92 |
1 |
4 |
24 |
0 |
NPC189796 |
C42H60O17 |
|
836.3830505 |
-2.6611 |
4.21 |
2.017 |
17 |
8 |
276.27 |
7 |
8 |
59 |
2 |
NPC190817 |
C25H28O6 |
|
424.1885886 |
1.3626 |
3.55 |
2.707 |
1 |
4 |
107.22 |
5 |
3 |
31 |
0 |
NPC19174 |
C15H12O4 |
Isoliquiritigenin
|
256.07 |
-1.2836 |
2.67 |
2.764 |
1 |
3 |
77.76 |
6 |
2 |
19 |
0 |
NPC193409 |
C31H32O16 |
(1S)-3-(4-carboxy-3-hydroxy-3-methylbutanoyl)oxy-4,5-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1-hydroxycyclohexane-1-carboxylic acid
|
660.1690349 |
-2.4932 |
3.11 |
0.94 |
12 |
8 |
274.88 |
15 |
3 |
47 |
3 |
NPC193803 |
C21H22O9 |
2-(4-hydroxyphenyl)-7-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
|
418.1263823 |
-3.101 |
2.78 |
0.752 |
6 |
5 |
145.91 |
4 |
4 |
30 |
0 |
NPC193850 |
C20H20O6 |
(2S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
|
356.1259884 |
-0.3973 |
3 |
1.833 |
1 |
4 |
107.22 |
3 |
3 |
26 |
0 |
NPC193939 |
C42H62O16 |
(2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6S)-2-[[(3S,4S,4aR,6aR,6bS,8aS,11S,14aR,14bS)-11-carboxy-4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,14a-dodecahydropicen-3-yl]oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
|
822.4037859 |
-1.6452 |
4.32 |
4.726 |
16 |
9 |
270.2 |
8 |
7 |
58 |
2 |
NPC194653 |
C16H12O6 |
|
300.0633881 |
-2.0994 |
2.56 |
1.068 |
1 |
3 |
96.22 |
6 |
3 |
22 |
0 |
NPC196765 |
C26H30O5 |
1-Methoxyerythrabyssin Ii
|
422.21 |
2.1293 |
3.77 |
4.291 |
0 |
2 |
68.15 |
12 |
4 |
31 |
0 |
NPC196993 |
C30H32O6 |
|
488.2198887 |
2.615 |
4.1 |
4.889 |
1 |
3 |
96.22 |
5 |
4 |
36 |
0 |
NPC197129 |
C32H26O10 |
|
570.152597 |
-3.267 |
3.88 |
2.742 |
2 |
6 |
173.98 |
7 |
5 |
42 |
1 |
NPC197396 |
C21H20O12 |
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxychromen-4-one
|
464.0954761 |
-4.8921 |
2.45 |
-0.783 |
7 |
8 |
206.6 |
4 |
4 |
33 |
1 |
NPC197934 |
C42H60O17 |
|
836.3830505 |
-2.6611 |
4.21 |
2.446 |
17 |
8 |
276.27 |
7 |
8 |
59 |
2 |
NPC199435 |
C21H22O6 |
|
370.1416384 |
-0.3857 |
3.11 |
0.598 |
2 |
4 |
107.22 |
4 |
3 |
27 |
0 |
NPC199875 |
C27H26O12 |
[(2S,3R,4S,5S,6R)-2-[4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]phenoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 3,4,5-trihydroxybenzoate
|
542.1424263 |
-3.6717 |
3.11 |
2.721 |
6 |
8 |
206.6 |
8 |
4 |
39 |
1 |
NPC200694 |
C20H18O6 |
Isolicoflavonol
|
354.11 |
-0.4635 |
3 |
3.385 |
2 |
4 |
107.22 |
9 |
3 |
26 |
0 |
NPC200708 |
C26H30O13 |
Liquiritin Apioside
|
550.17 |
-4.5097 |
2.89 |
-0.585 |
10 |
7 |
204.83 |
14 |
5 |
39 |
1 |
NPC200823 |
C30H44O5 |
|
484.3188745 |
1.3034 |
4.21 |
4.226 |
5 |
2 |
83.83 |
1 |
6 |
35 |
0 |
NPC201095 |
C42H64O15 |
|
808.4245213 |
-0.8092 |
4.43 |
7.143 |
15 |
8 |
249.97 |
7 |
7 |
57 |
3 |
NPC202666 |
C42H62O16 |
Glycyrrhizin
|
822.4 |
-1.6063 |
4.32 |
4.414 |
16 |
8 |
267.04 |
22 |
7 |
58 |
2 |
NPC202891 |
C21H18O6 |
1,9-dihydroxy-3-methoxy-2-(3-methylbut-2-enyl)-[1]benzofuro[3,2-c]chromen-6-one
|
366.1103383 |
0.6598 |
3.11 |
2.978 |
1 |
2 |
89.13 |
3 |
4 |
27 |
0 |
NPC203050 |
C22H22O12 |
|
478.1111261 |
-4.4836 |
2.56 |
-0.264 |
12 |
7 |
195.6 |
13 |
4 |
34 |
1 |
NPC203077 |
C25H26O6 |
Isoangustone A
|
422.17 |
1.2469 |
3.55 |
3.918 |
1 |
4 |
107.22 |
13 |
3 |
31 |
0 |
NPC203371 |
C22H24O5 |
(6aR,11aR)-1,3-dimethoxy-2-(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-9-ol
|
368.1623739 |
0.6604 |
3.33 |
3.34 |
0 |
1 |
57.15 |
4 |
4 |
27 |
0 |
NPC203503 |
C42H62O15 |
|
806.4088713 |
-0.2041 |
4.43 |
6.28 |
15 |
8 |
249.97 |
7 |
7 |
57 |
3 |
NPC203564 |
C42H62O16 |
(2S,3S,4S,5R,6R)-6-[(2R,3R,4S,6S)-2-[[(3S,4S,6aR,8aS,11S,14bS)-11-carboxy-4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,14a-dodecahydropicen-3-yl]oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
|
822.4037859 |
-1.6452 |
4.32 |
4.726 |
16 |
9 |
270.2 |
8 |
7 |
58 |
2 |
NPC203575 |
C42H62O15 |
(2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-formyl-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
|
806.4088713 |
-1.5589 |
4.43 |
4.828 |
15 |
7 |
246.81 |
7 |
7 |
57 |
2 |
NPC204242 |
C10H18O |
(1S,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol
|
154.1357652 |
1.2373 |
2.45 |
2.395 |
1 |
1 |
20.23 |
1 |
1 |
11 |
0 |
NPC204450 |
C30H42O7 |
Ganoderenic Acid A
|
514.29 |
1.2733 |
3.99 |
0.491 |
7 |
3 |
128.97 |
15 |
4 |
37 |
0 |
NPC204919 |
C22H22O6 |
|
382.1416384 |
-0.3844 |
3.22 |
2.843 |
1 |
2 |
85.22 |
3 |
4 |
28 |
0 |
NPC204985 |
C25H26O5 |
5,7-Dihydroxy-3-(4-Hydroxyphenyl)-6,8-Bis(3-Methylbut-2-Enyl)Chromen-4-One
|
406.18 |
1.7072 |
3.66 |
4.452 |
1 |
3 |
86.99 |
12 |
3 |
30 |
0 |
NPC205046 |
C20H18O7 |
Uralenol
|
370.11 |
-0.9238 |
2.89 |
2.851 |
2 |
5 |
127.45 |
10 |
3 |
27 |
0 |
NPC205993 |
C15H26O3 |
(2R,3R,3aR,3bR,6aR,7aR)-3,3a,5,5-tetramethyl-2,3,3b,4,6,7-hexahydro-1H-cyclopenta[a]pentalene-2,6a,7a-triol
|
254.1881947 |
0.2448 |
2.78 |
1.97 |
3 |
3 |
60.69 |
0 |
3 |
18 |
0 |
NPC206589 |
C27H30O15 |
5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis[(2S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
|
594.1584703 |
-6.3559 |
2.78 |
-2.583 |
11 |
11 |
267.29 |
5 |
5 |
42 |
2 |
NPC206732 |
C26H30O13 |
|
550.168641 |
-4.4392 |
2.89 |
-0.11 |
10 |
8 |
215.83 |
9 |
4 |
39 |
1 |
NPC206800 |
C9H8O2 |
Cinnamic Acid
|
148.05 |
0.1213 |
2.23 |
3.904 |
2 |
1 |
37.3 |
3 |
1 |
11 |
0 |
NPC207131 |
C27H30O13 |
|
562.168641 |
-4.3344 |
3 |
0.549 |
10 |
6 |
193.83 |
8 |
5 |
40 |
1 |
NPC207146 |
C37H42N2O6 |
1-[[4-hydroxy-3-[[6-methoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
|
610.3042871 |
-0.4407 |
4.65 |
5.524 |
2 |
2 |
83.86 |
9 |
6 |
45 |
1 |
NPC207204 |
C30H48O3 |
(2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-hydroxy-2-(hydroxymethyl)-2,4a,6a,6b,9,9,12a-heptamethyl-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picen-13-one
|
456.3603454 |
1.4742 |
4.43 |
7.052 |
3 |
2 |
57.53 |
1 |
5 |
33 |
1 |
NPC208391 |
C24H30O5 |
|
398.2093241 |
0.613 |
3.55 |
4.506 |
1 |
4 |
90.15 |
5 |
3 |
29 |
0 |
NPC209560 |
C16H12O4 |
Formononetin
|
268.07 |
-1.1788 |
2.78 |
2.994 |
1 |
1 |
55.76 |
4 |
3 |
20 |
0 |
NPC209828 |
C27H32O14 |
(2R)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,3-dihydrochromen-4-one
|
580.1792057 |
-4.8479 |
2.89 |
-0.356 |
11 |
8 |
225.06 |
7 |
5 |
41 |
2 |
NPC211413 |
C26H30O5 |
|
422.2093241 |
1.6854 |
3.77 |
4.233 |
0 |
2 |
68.15 |
11 |
4 |
31 |
0 |
NPC211629 |
C32H32O12 |
[(2R,3S,4S,5R,6S)-3,4-dihydroxy-6-[4-(3-oxobutyl)phenoxy]-5-[(E)-3-phenylprop-2-enoyl]oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
|
608.1893765 |
-2.6453 |
3.66 |
5.476 |
8 |
5 |
189.28 |
13 |
4 |
44 |
2 |
NPC211913 |
C28H32O16 |
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
|
624.1690349 |
-5.7305 |
2.78 |
-1.098 |
11 |
9 |
254.52 |
7 |
5 |
44 |
2 |
NPC212226 |
C31H52O4 |
docosyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
|
488.3865601 |
-6.3477 |
4.43 |
13.054 |
2 |
2 |
66.76 |
24 |
1 |
35 |
2 |
NPC215722 |
C16H14O5 |
9-(2-hydroxy-3-methylbut-3-enoxy)furo[3,2-g]chromen-7-one
|
286.0841235 |
0.6166 |
2.67 |
1.55 |
2 |
1 |
68.9 |
4 |
3 |
21 |
0 |
NPC21696 |
C26H28O5 |
|
420.193674 |
1.62 |
3.77 |
4.221 |
0 |
1 |
57.15 |
3 |
5 |
31 |
0 |
NPC216997 |
C42H66O14 |
(2S,4aS,6bR,12aS)-10-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid
|
794.4452568 |
-1.8107 |
4.54 |
3.671 |
14 |
8 |
232.9 |
7 |
7 |
56 |
2 |
NPC217468 |
C49H76O20 |
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8aR,9R,11R,12aS,14aR,14bR)-9-acetyloxy-11-carboxy-4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
|
984.4929948 |
-3.2827 |
4.65 |
3.496 |
20 |
10 |
318.12 |
11 |
8 |
69 |
3 |
NPC218109 |
C27H30O16 |
2-(2,3-dihydroxyphenyl)-5,7-dihydroxy-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one
|
610.1533849 |
-6.139 |
2.67 |
-1.188 |
11 |
10 |
265.52 |
6 |
5 |
43 |
2 |
NPC218141 |
C21H20O7 |
(2S)-6-(2,4-dihydroxyphenyl)-2-(2-hydroxypropan-2-yl)-4-methoxy-2,3-dihydrofuro[3,2-g]chromen-7-one
|
384.120903 |
-0.7996 |
3 |
2.017 |
2 |
3 |
105.45 |
3 |
4 |
28 |
0 |
NPC218932 |
C21H22O9 |
(2S)-7-hydroxy-2-[4-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,3-dihydrochromen-4-one
|
418.1263823 |
-3.101 |
2.78 |
0.752 |
6 |
5 |
145.91 |
4 |
4 |
30 |
0 |
NPC219416 |
C10H13N |
4-methyl-5,6,7,8-tetrahydroquinoline
|
147.1047994 |
0.384 |
2.45 |
2.919 |
1 |
0 |
12.89 |
0 |
2 |
11 |
0 |
NPC219536 |
C12H22O4 |
|
230.1518092 |
-1.636 |
2.34 |
2.924 |
4 |
0 |
52.6 |
13 |
0 |
16 |
1 |
NPC219856 |
C21H20O7 |
5,7-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-8-[(E)-4-hydroxy-3-methylbut-2-enyl]chromen-4-one
|
384.120903 |
-1.3127 |
3 |
0.657 |
2 |
4 |
116.45 |
5 |
3 |
28 |
0 |
NPC219917 |
C21H20O5 |
|
352.1310737 |
0.2383 |
3.22 |
3.501 |
1 |
2 |
75.99 |
9 |
3 |
26 |
0 |
NPC21993 |
C25H26O7 |
5,7-dihydroxy-3-(5-hydroxy-2,2-dimethylchromen-6-yl)-6-(3-hydroxy-3-methylbutyl)chromen-4-one
|
438.1678532 |
-0.688 |
3.44 |
2.522 |
2 |
4 |
116.45 |
4 |
4 |
32 |
0 |
NPC220062 |
C20H18O5 |
8-Prenylapigenin
|
338.12 |
-0.0071 |
3.11 |
3.037 |
1 |
3 |
86.99 |
8 |
3 |
25 |
0 |
NPC221777 |
C25H28O5 |
Glycyrdione A
|
408.19 |
1.8811 |
3.66 |
4.937 |
2 |
3 |
94.83 |
15 |
2 |
30 |
0 |
NPC221868 |
C19H16O4 |
|
308.104859 |
-0.1669 |
3.11 |
3.295 |
0 |
2 |
62.83 |
5 |
4 |
23 |
0 |
NPC223954 |
C21H22O5 |
4-[7-hydroxy-5-methoxy-6-(3-methylbut-2-enyl)-2H-chromen-3-yl]benzene-1,3-diol
|
354.1467238 |
0.5744 |
3.22 |
2.698 |
0 |
3 |
79.15 |
4 |
3 |
26 |
0 |
NPC224124 |
C22H24O5 |
4-[5,7-dimethoxy-6-(3-methylbut-2-enyl)-2H-chromen-3-yl]benzene-1,3-diol
|
368.1623739 |
0.9829 |
3.33 |
3.217 |
0 |
2 |
68.15 |
5 |
3 |
27 |
0 |
NPC224342 |
C24H28O4 |
6,8-Bis(3-Methylbut-2-Enyl)-9,10-Dihydrophenanthrene-2,3,5,7-Tetrol
|
380.2 |
2.0384 |
3.66 |
4.583 |
0 |
4 |
80.92 |
12 |
3 |
28 |
0 |
NPC224349 |
C20H20O6 |
2-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one
|
356.1259884 |
-0.3973 |
3 |
1.833 |
1 |
4 |
107.22 |
3 |
3 |
26 |
0 |
NPC224520 |
C21H22O4 |
|
338.1518092 |
0.2683 |
3.33 |
3.726 |
0 |
1 |
47.92 |
2 |
4 |
25 |
0 |
NPC224885 |
C23H26O6 |
|
398.1729386 |
0.5334 |
3.33 |
3.432 |
1 |
2 |
85.22 |
6 |
3 |
29 |
0 |
NPC22563 |
C27H30O16 |
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-[[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
|
610.1533849 |
-6.139 |
2.67 |
-1.188 |
11 |
10 |
265.52 |
6 |
5 |
43 |
2 |
NPC225710 |
C7H6O5 |
Gallic Acid
|
170.02 |
-1.6207 |
1.68 |
0.002 |
2 |
4 |
97.99 |
5 |
1 |
12 |
0 |
NPC225861 |
C26H30O13 |
(E)-3-[4-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-1-(2,4-dihydroxyphenyl)prop-2-en-1-one
|
550.168641 |
-4.4392 |
2.89 |
0.319 |
10 |
8 |
215.83 |
9 |
4 |
39 |
1 |
NPC226644 |
C20H20O5 |
Licocoumarone
|
340.13 |
0.2906 |
3.11 |
2.921 |
0 |
3 |
83.06 |
10 |
3 |
25 |
0 |
NPC228322 |
C24H30O4 |
5-[2-(3,4-dihydroxyphenyl)ethyl]-4,6-bis(3-methylbut-2-enyl)benzene-1,3-diol
|
382.2144094 |
2.0384 |
3.66 |
5.415 |
0 |
4 |
80.92 |
7 |
2 |
28 |
1 |
NPC230301 |
C29H50O |
Beta-Sitosterol
|
414.39 |
1.3 |
4.54 |
11.595 |
1 |
1 |
20.23 |
13 |
4 |
30 |
1 |
NPC230861 |
C27H30O15 |
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,5S)-3,4,5-trihydroxy-6-[[(2R,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
|
594.1584703 |
-5.6787 |
2.78 |
-0.654 |
11 |
9 |
245.29 |
6 |
5 |
42 |
2 |
NPC231763 |
C20H16O6 |
5,7-dihydroxy-3-(5-hydroxy-2,2-dimethylchromen-6-yl)chromen-4-one
|
352.0946882 |
-1.1398 |
3 |
1.949 |
1 |
3 |
96.22 |
1 |
4 |
26 |
0 |
NPC232132 |
C21H23NO2 |
2-[(2R,6S)-6-phenacylpiperidin-2-yl]-1-phenylethanone
|
321.172879 |
-1.8432 |
3.44 |
6.722 |
3 |
1 |
46.17 |
6 |
3 |
24 |
1 |
NPC232292 |
C21H20O9 |
7-hydroxy-2-[4-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
|
416.1107322 |
-3.1711 |
2.78 |
1.422 |
6 |
5 |
145.91 |
4 |
4 |
30 |
0 |
NPC232947 |
C20H18O6 |
3-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxychromen-4-one
|
354.1103383 |
-0.6305 |
3 |
2.019 |
1 |
4 |
107.22 |
3 |
3 |
26 |
0 |
NPC233162 |
C27H32O14 |
(2S)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,3-dihydrochromen-4-one
|
580.1792057 |
-4.8479 |
2.89 |
-0.356 |
11 |
8 |
225.06 |
7 |
5 |
41 |
2 |
NPC233455 |
C30H46O4 |
Enoxolone
|
470.34 |
1.6831 |
4.32 |
6.745 |
4 |
2 |
74.6 |
10 |
5 |
34 |
1 |
NPC234364 |
C42H62O16 |
(2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
|
822.4037859 |
-1.6063 |
4.32 |
4.414 |
16 |
8 |
267.04 |
7 |
7 |
58 |
2 |
NPC234560 |
C15H10O4 |
Daidzein
|
254.06 |
-1.5873 |
2.67 |
2.475 |
1 |
2 |
66.76 |
3 |
3 |
19 |
0 |
NPC235239 |
C20H18O4 |
Kanzonol B
|
322.12 |
0.0845 |
3.22 |
4.164 |
1 |
2 |
66.76 |
7 |
3 |
24 |
0 |
NPC236155 |
C21H22O5 |
|
354.1467238 |
-0.192 |
3.22 |
2.763 |
0 |
2 |
68.15 |
2 |
4 |
26 |
0 |
NPC236212 |
C10H18O2 |
(1S,4S,4aR,7S,7aR)-4,7-dimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran-1-ol
|
170.1306798 |
-0.3048 |
2.34 |
2.188 |
2 |
1 |
29.46 |
0 |
2 |
12 |
0 |
NPC237994 |
C25H26O5 |
(E)-1-[2,4-Dihydroxy-3-(3-Methylbut-2-Enyl)Phenyl]-3-(8-Hydroxy-2,2-Dimethylchromen-6-Yl)Prop-2-En-1-One
|
406.18 |
1.5016 |
3.66 |
4.46 |
1 |
3 |
86.99 |
12 |
3 |
30 |
0 |
NPC238009 |
C30H46O4 |
(2S,4aS,6aS,6bR,8aR,10S,12aS,14bS)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid
|
470.33961 |
1.6831 |
4.32 |
6.745 |
4 |
2 |
74.6 |
1 |
5 |
34 |
1 |
NPC238064 |
C25H24O6 |
5,7-dihydroxy-3-(5-hydroxy-2,2-dimethylchromen-6-yl)-6-(3-methylbut-2-enyl)chromen-4-one
|
420.1572885 |
0.7376 |
3.55 |
3.419 |
1 |
3 |
96.22 |
3 |
4 |
31 |
0 |
NPC238139 |
C26H30O5 |
|
422.2093241 |
2.4649 |
3.77 |
3.993 |
1 |
3 |
86.99 |
5 |
3 |
31 |
0 |
NPC238192 |
C27H30O15 |
|
594.1584703 |
-6.3559 |
2.78 |
-2.583 |
11 |
11 |
267.29 |
5 |
5 |
42 |
2 |
NPC238279 |
C20H18O6 |
Glycyrrhisoflavone
|
354.11 |
-0.6305 |
3 |
2.448 |
1 |
4 |
107.22 |
9 |
3 |
26 |
0 |
NPC23870 |
C21H22O4 |
Licoagrochacone A
|
338.15 |
0.7466 |
3.33 |
4.443 |
1 |
2 |
66.76 |
11 |
2 |
25 |
0 |
NPC239833 |
C26H30O5 |
|
422.2093241 |
1.0263 |
3.77 |
4.354 |
0 |
1 |
57.15 |
2 |
5 |
31 |
0 |
NPC240074 |
C42H62O16 |
(2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aS,6aR,6bS,8aS,11R,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
|
822.4037859 |
-1.6063 |
4.32 |
4.414 |
16 |
8 |
267.04 |
7 |
7 |
58 |
2 |
NPC240720 |
C42H62O16 |
|
822.4037859 |
-1.6452 |
4.32 |
4.726 |
16 |
9 |
270.2 |
8 |
7 |
58 |
2 |
NPC241498 |
C16H12O6 |
Hispidulin
|
300.06 |
-1.9363 |
2.56 |
1.123 |
1 |
3 |
96.22 |
6 |
3 |
22 |
0 |
NPC242015 |
C42H62O16 |
(2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11R,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
|
822.4037859 |
-1.6063 |
4.32 |
4.414 |
16 |
8 |
267.04 |
7 |
7 |
58 |
2 |
NPC243083 |
C15H12O4 |
Pinocembrin
|
256.07 |
-1.3541 |
2.67 |
2.493 |
1 |
2 |
66.76 |
3 |
3 |
19 |
0 |
NPC243089 |
C23H26O11 |
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-(3-oxobutyl)phenoxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
|
478.1475117 |
-3.3756 |
2.78 |
1.181 |
7 |
6 |
183.21 |
9 |
3 |
34 |
1 |
NPC243171 |
C25H28O5 |
|
408.193674 |
1.7485 |
3.66 |
4.465 |
2 |
3 |
86.99 |
12 |
3 |
30 |
0 |
NPC24323 |
C35H36O15 |
[(4S,5S)-5-[(2S,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-[4-[(2R)-7-hydroxy-4-oxo-2,3-dihydrochromen-2-yl]phenoxy]oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
|
696.2054205 |
-4.2397 |
3.66 |
1.692 |
11 |
7 |
231.13 |
11 |
6 |
50 |
3 |
NPC24394 |
C21H22O4 |
Licochalcone E
|
338.15 |
0.684 |
3.33 |
4.093 |
1 |
2 |
66.76 |
11 |
2 |
25 |
0 |
NPC243957 |
C21H20O7 |
3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-(3-methylbut-2-enyl)chromen-4-one
|
384.120903 |
-0.5153 |
3 |
2.941 |
2 |
4 |
116.45 |
4 |
3 |
28 |
0 |
NPC244466 |
C31H44O6 |
|
512.3137891 |
1.0882 |
4.21 |
4.546 |
6 |
1 |
89.9 |
2 |
6 |
37 |
0 |
NPC244888 |
C25H28O4 |
|
392.1987594 |
1.7372 |
3.77 |
4.677 |
0 |
2 |
58.92 |
9 |
4 |
29 |
0 |
NPC245561 |
C9H10O3 |
Hydroxyphenyl Propionic Acid
|
166.06 |
-0.6029 |
2.12 |
1.631 |
2 |
2 |
57.53 |
5 |
1 |
12 |
0 |
NPC247086 |
C15H12O4 |
7-hydroxy-3-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
|
256.0735589 |
-1.4716 |
2.67 |
1.693 |
1 |
2 |
66.76 |
1 |
3 |
19 |
0 |
NPC247315 |
C48H72O21 |
|
984.4566093 |
-3.5107 |
4.43 |
3.108 |
21 |
11 |
346.19 |
28 |
8 |
69 |
2 |
NPC247779 |
C16H14O4 |
Echinatin
|
270.09 |
-0.8751 |
2.78 |
2.643 |
1 |
2 |
66.76 |
7 |
2 |
20 |
0 |
NPC247907 |
C36H38O16 |
[(3S,4R,5S)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[4-[(2R)-7-hydroxy-4-oxo-2,3-dihydrochromen-2-yl]phenoxy]oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
726.2159851 |
-4.2915 |
3.66 |
1.037 |
11 |
7 |
240.36 |
12 |
6 |
52 |
3 |
NPC24821 |
C20H18O6 |
Licoflavonol
|
354.11 |
-0.4635 |
3 |
3.385 |
2 |
4 |
107.22 |
9 |
3 |
26 |
0 |
NPC248773 |
C30H46O3 |
|
454.3446953 |
2.7349 |
4.43 |
8.189 |
3 |
2 |
57.53 |
1 |
5 |
33 |
1 |
NPC248963 |
C48H72O21 |
(2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6S)-2-[[(3S,6aR,8aS,12aR,14bS)-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
|
984.4566093 |
-3.5107 |
4.43 |
3.108 |
21 |
11 |
346.19 |
10 |
8 |
69 |
2 |
NPC249045 |
C29H50O |
(3S,8R,9R,10S,13R,14S,17R)-17-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
414.3861662 |
1.3 |
4.54 |
11.595 |
1 |
1 |
20.23 |
6 |
4 |
30 |
1 |
NPC249374 |
C21H22O9 |
(2S)-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
|
418.1263823 |
-3.101 |
2.78 |
0.752 |
6 |
5 |
145.91 |
4 |
4 |
30 |
0 |
NPC250098 |
C31H48O5 |
methyl (2S,4aS,6aR,6aS,6bR,8aR,9S,10S,12aS,14bR)-10-hydroxy-9-(hydroxymethyl)-2,4a,6a,6b,9,12a-hexamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylate
|
500.3501746 |
0.8434 |
4.32 |
6.363 |
5 |
2 |
83.83 |
3 |
5 |
36 |
1 |
NPC251512 |
C42H62O16.2H3N |
diazanium;(2S,3S,4S,5R,6S)-6-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxylato-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-5-[(2R,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylate
|
822.4037859 |
-1.6063 |
4.32 |
4.414 |
16 |
8 |
267.04 |
7 |
7 |
58 |
2 |
NPC25362 |
C21H22O5 |
3-[(3R)-8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl]-6-methoxybenzene-1,2-diol
|
354.1467238 |
-0.192 |
3.22 |
3.192 |
0 |
2 |
68.15 |
2 |
4 |
26 |
0 |
NPC253788 |
C27H30O15 |
|
594.1584703 |
-5.6787 |
2.78 |
-0.654 |
11 |
9 |
245.29 |
16 |
5 |
42 |
2 |
NPC25421 |
C22H24O6 |
|
384.1572885 |
0.3022 |
3.22 |
2.275 |
1 |
2 |
85.22 |
5 |
3 |
28 |
0 |
NPC254544 |
C26H30O13 |
|
550.168641 |
-4.5097 |
2.89 |
-0.585 |
10 |
7 |
204.83 |
7 |
5 |
39 |
1 |
NPC254566 |
C21H22O9 |
2-(4-hydroxyphenyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
|
418.1263823 |
-3.101 |
2.78 |
0.752 |
6 |
5 |
145.91 |
4 |
4 |
30 |
0 |
NPC25459 |
C44H51NO16 |
|
849.3207846 |
-0.3364 |
4.43 |
6.496 |
17 |
0 |
223.29 |
14 |
6 |
61 |
3 |
NPC254847 |
C15H10O5 |
Emodin
|
270.05 |
-1.2665 |
2.56 |
0.664 |
2 |
3 |
94.83 |
4 |
3 |
20 |
0 |
NPC255662 |
C30H48O3 |
(4aR,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
|
456.3603454 |
2.1298 |
4.43 |
9.052 |
3 |
2 |
57.53 |
1 |
5 |
33 |
1 |
NPC256923 |
C25H30O4 |
4-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-2-(3-methylbut-2-enyl)benzene-1,3-diol
|
394.2144094 |
1.5874 |
3.77 |
4.868 |
0 |
2 |
58.92 |
3 |
4 |
29 |
0 |
NPC257378 |
C15H14O4 |
7-methoxy-8-(3-prop-1-en-2-yloxiran-2-yl)chromen-2-one
|
258.0892089 |
1.1172 |
2.67 |
1.946 |
2 |
0 |
48.06 |
3 |
3 |
19 |
0 |
NPC257756 |
C16H14O4 |
3-Deoxysappanchalcone
|
270.09 |
-0.8751 |
2.78 |
2.854 |
1 |
2 |
66.76 |
7 |
2 |
20 |
0 |
NPC259134 |
C10H12O |
1-Methoxy-4-[(Z)-Prop-1-Enyl]Benzene
|
148.09 |
0.8555 |
2.45 |
3.979 |
0 |
0 |
9.23 |
4 |
1 |
11 |
0 |
NPC259166 |
C20H18O5 |
Wighteone
|
338.12 |
-0.1702 |
3.11 |
2.982 |
1 |
3 |
86.99 |
8 |
3 |
25 |
0 |
NPC259376 |
C22H24O6 |
|
384.1572885 |
0.1249 |
3.22 |
2.913 |
1 |
3 |
96.22 |
5 |
3 |
28 |
0 |
NPC259767 |
C21H22O9 |
Isoliquiritin
|
418.13 |
-3.0305 |
2.78 |
1.656 |
6 |
6 |
156.91 |
12 |
3 |
30 |
1 |
NPC260296 |
C21H18O6 |
Glycyrol
|
366.11 |
0.6598 |
3.11 |
2.978 |
1 |
2 |
89.13 |
8 |
4 |
27 |
0 |
NPC26051 |
C21H20O6 |
7-O-Methylluteone
|
368.13 |
-0.222 |
3.11 |
2.538 |
1 |
3 |
96.22 |
10 |
3 |
27 |
0 |
NPC260711 |
C3H4O2 |
2-oxopropanal
|
72.02112937 |
0.1142 |
1.57 |
-0.345 |
2 |
0 |
34.14 |
1 |
0 |
5 |
0 |
NPC26080 |
C20H22O8 |
|
390.1314677 |
-2.66 |
2.78 |
2.328 |
5 |
6 |
139.84 |
11 |
3 |
28 |
1 |
NPC261227 |
C20H18O4 |
|
322.1205091 |
0.4532 |
3.22 |
4 |
1 |
2 |
66.76 |
7 |
3 |
24 |
0 |
NPC261539 |
C26H30O13 |
|
550.168641 |
-4.4392 |
2.89 |
-0.11 |
10 |
8 |
215.83 |
9 |
4 |
39 |
1 |
NPC262199 |
C43H64O16 |
|
836.419436 |
-1.3553 |
4.43 |
4.735 |
16 |
7 |
256.04 |
23 |
7 |
59 |
2 |
NPC26333 |
C21H24O9 |
1-[2,4-dihydroxy-6-[(2S,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]-3-(4-hydroxyphenyl)propan-1-one
|
420.1420323 |
-3.2547 |
2.78 |
1.144 |
5 |
6 |
156.91 |
6 |
3 |
30 |
1 |
NPC263394 |
C25H28O6 |
2-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
|
424.1885886 |
1.4801 |
3.55 |
3.303 |
1 |
4 |
107.22 |
5 |
3 |
31 |
0 |
NPC264676 |
C48H72O21 |
|
984.4566093 |
-3.5107 |
4.43 |
3.108 |
21 |
11 |
346.19 |
10 |
8 |
69 |
2 |
NPC265480 |
C26H30O13 |
Licuroside
|
550.17 |
-4.4392 |
2.89 |
0.319 |
10 |
8 |
215.83 |
17 |
4 |
39 |
1 |
NPC265894 |
C21H24O6 |
1-(2,4-dihydroxyphenyl)-2-[6-hydroxy-2,4-dimethoxy-3-(3-methylbut-2-enyl)phenyl]ethanone
|
372.1572885 |
0.1639 |
3.11 |
2.525 |
1 |
3 |
96.22 |
7 |
2 |
27 |
0 |
NPC266033 |
C21H20O6 |
5,7-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-6-(3-methylbut-2-enyl)chromen-4-one
|
368.1259884 |
-0.222 |
3.11 |
2.538 |
1 |
3 |
96.22 |
4 |
3 |
27 |
0 |
NPC266572 |
C20H16O5 |
Glabrone
|
336.1 |
-0.6795 |
3.11 |
2.912 |
1 |
2 |
75.99 |
5 |
4 |
25 |
0 |
NPC266759 |
C21H16O6 |
|
364.0946882 |
0.1505 |
3.11 |
2.908 |
1 |
1 |
78.13 |
1 |
5 |
27 |
0 |
NPC266774 |
C42H60O16 |
|
820.3881358 |
-1.5704 |
4.32 |
3.149 |
16 |
7 |
256.04 |
6 |
8 |
58 |
2 |
NPC266999 |
C26H28O5 |
|
420.193674 |
2.3492 |
3.77 |
4.564 |
1 |
3 |
86.99 |
5 |
3 |
31 |
0 |
NPC26774 |
C16H14O6 |
(2S)-2,6-dihydroxy-2-[(4-hydroxyphenyl)methyl]-4-methoxy-1-benzofuran-3-one
|
302.0790382 |
-1.7682 |
2.56 |
1.226 |
2 |
3 |
96.22 |
3 |
3 |
22 |
0 |
NPC268304 |
C25H26O6 |
|
422.1729386 |
1.41 |
3.55 |
3.973 |
1 |
4 |
107.22 |
5 |
3 |
31 |
0 |
NPC268404 |
C20H18O6 |
|
354.1103383 |
0.2173 |
3 |
2.407 |
1 |
4 |
107.22 |
3 |
3 |
26 |
0 |
NPC269836 |
C20H22O6 |
|
358.1416384 |
0.1376 |
3 |
1.78 |
4 |
4 |
107.22 |
3 |
3 |
26 |
0 |
NPC270708 |
C25H26O6 |
3,5,7-trihydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-6-(3-methylbut-2-enyl)chromen-4-one
|
422.1729386 |
1.4139 |
3.55 |
4.855 |
2 |
4 |
107.22 |
5 |
3 |
31 |
0 |
NPC270883 |
C20H18O4 |
|
322.1205091 |
0.4532 |
3.22 |
4 |
1 |
2 |
66.76 |
7 |
3 |
24 |
0 |
NPC271385 |
C21H20O10 |
Fucosyltransferase V
|
432.11 |
-3.0134 |
2.67 |
-0.444 |
7 |
6 |
173.98 |
10 |
4 |
31 |
1 |
NPC272085 |
C28H32O16 |
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(2S,5S)-3,4,5-trihydroxy-6-[[(2R,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
|
624.1690349 |
-5.7305 |
2.78 |
-1.098 |
11 |
9 |
254.52 |
7 |
5 |
44 |
2 |
NPC272410 |
C26H30O13 |
(2S)-2-[4-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-7-hydroxy-2,3-dihydrochromen-4-one
|
550.168641 |
-4.5097 |
2.89 |
-0.585 |
10 |
7 |
204.83 |
7 |
5 |
39 |
1 |
NPC272426 |
C12H26O4S.Na |
Sodium Lauryl Sulfate
|
265.15 |
-4.004 |
2.23 |
4.106 |
4 |
0 |
74.81 |
14 |
0 |
17 |
1 |
NPC272545 |
C21H22O5 |
(E)-3-[3,4-dihydroxy-2-methoxy-5-(2-methylbut-3-en-2-yl)phenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one
|
354.1467238 |
0.2863 |
3.22 |
3.909 |
1 |
3 |
86.99 |
6 |
2 |
26 |
0 |
NPC273758 |
C15H12O2 |
Dibenzoylmethane
|
224.08 |
-0.4928 |
2.89 |
5.723 |
2 |
0 |
34.14 |
4 |
2 |
17 |
1 |
NPC273911 |
C20H18O6 |
|
354.1103383 |
-1.0241 |
3 |
1.167 |
1 |
3 |
96.22 |
1 |
4 |
26 |
0 |
NPC27426 |
C21H20O7 |
3,9-dihydroxy-2-(3-hydroxy-3-methylbutyl)-1-methoxy-[1]benzofuro[3,2-c]chromen-6-one
|
384.120903 |
-0.7658 |
3 |
2.081 |
2 |
3 |
109.36 |
4 |
4 |
28 |
0 |
NPC275343 |
C42H62O15 |
|
806.41 |
-0.5545 |
4.43 |
5.858 |
15 |
8 |
249.97 |
22 |
7 |
57 |
3 |
NPC275691 |
C21H22O5 |
2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-5,6-dimethoxy-1-benzofuran-3-ol
|
354.1467238 |
0.6991 |
3.22 |
3.44 |
0 |
2 |
72.06 |
5 |
3 |
26 |
0 |
NPC27643 |
C21H22O4 |
Licochalcone C
|
338.15 |
1.0023 |
3.33 |
4.113 |
1 |
2 |
66.76 |
11 |
2 |
25 |
0 |
NPC277113 |
C21H18O6 |
7-hydroxy-3-(8-hydroxy-2,2-dimethylchromen-6-yl)-5-methoxychromen-4-one
|
366.1103383 |
-0.7313 |
3.11 |
2.468 |
1 |
2 |
85.22 |
2 |
4 |
27 |
0 |
NPC27794 |
C26H28O14 |
5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6-[(2S,4S,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one
|
564.1479056 |
-5.8452 |
2.78 |
-2.34 |
10 |
10 |
247.06 |
4 |
5 |
40 |
1 |
NPC278234 |
C26H32O6 |
|
440.2198887 |
0.0446 |
3.66 |
3.515 |
1 |
2 |
77.38 |
4 |
5 |
32 |
0 |
NPC278683 |
C23H48 |
tricosane
|
324.3756015 |
-5.9454 |
3.99 |
13.427 |
0 |
0 |
0 |
20 |
0 |
23 |
2 |
NPC278877 |
C25H28O4 |
7-hydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
|
392.1987594 |
2.4007 |
3.77 |
4.8 |
1 |
2 |
66.76 |
5 |
3 |
29 |
0 |
NPC278968 |
C25H24O6 |
5,7-dihydroxy-3-(8-hydroxy-2,2-dimethylchromen-6-yl)-6-(3-methylbut-2-enyl)chromen-4-one
|
420.1572885 |
0.7376 |
3.55 |
3.419 |
1 |
3 |
96.22 |
3 |
4 |
31 |
0 |
NPC278983 |
C42H62O16 |
(2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxylato-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxylato-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate
|
819.3803108 |
-3.6397 |
4.32 |
2.113 |
16 |
5 |
275.53 |
7 |
7 |
58 |
1 |
NPC279790 |
C22H22O9 |
7-methoxy-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
|
430.1263823 |
-2.9257 |
2.89 |
1.886 |
6 |
4 |
134.91 |
5 |
4 |
31 |
0 |
NPC279989 |
C17H14O7 |
3,3'-O-Dimethylquercetin
|
330.07 |
-2.3282 |
2.56 |
1.363 |
2 |
3 |
105.45 |
8 |
3 |
24 |
0 |
NPC280925 |
C26H32O5 |
|
424.2249741 |
2.1947 |
3.77 |
4.303 |
0 |
3 |
79.15 |
6 |
3 |
31 |
0 |
NPC281170 |
C50H76O21 |
|
1012.487909 |
-2.6005 |
4.65 |
4.542 |
21 |
10 |
335.19 |
11 |
8 |
71 |
3 |
NPC28128 |
C50H76O21 |
(2S,3S,4S,5R,6R)-6-[[(2R,6aR,8aR,9R,11R,14bS)-9-acetyloxy-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,14a-tetradecahydropicen-2-yl]oxy]-5-[(2R,3R,4S,5S,6S)-6-carboxy-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
|
1012.487909 |
-2.0218 |
4.65 |
5.709 |
21 |
10 |
335.19 |
11 |
8 |
71 |
4 |
NPC281403 |
C30H30O15 |
[(2R,3S,4S,5R,6S)-3,4-dihydroxy-6-[4-(3-oxobutyl)phenoxy]-5-(3,4,5-trihydroxybenzoyl)oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
|
630.1584703 |
-4.3873 |
3.11 |
1.574 |
8 |
8 |
249.97 |
12 |
4 |
45 |
2 |
NPC281449 |
C15H12O4 |
3-(2,4-dihydroxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one
|
256.0735589 |
-1.2836 |
2.67 |
2.124 |
1 |
3 |
77.76 |
3 |
2 |
19 |
0 |
NPC282621 |
C19H20O4 |
8-(3-methylbut-2-enyl)-9,10-dihydrophenanthrene-2,3,5,7-tetrol
|
312.1361591 |
0.161 |
3.11 |
3.113 |
0 |
4 |
80.92 |
2 |
3 |
23 |
0 |
NPC283064 |
C42H70O35 |
|
1134.369764 |
-12.2283 |
2.23 |
-13.762 |
35 |
21 |
554.05 |
7 |
7 |
77 |
2 |
NPC283644 |
C22H22O7 |
|
398.136553 |
-0.2738 |
3.11 |
2.094 |
1 |
3 |
105.45 |
5 |
3 |
29 |
0 |
NPC284332 |
C35H36O15 |
[(3S,4R,5S)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[4-[(2S)-7-hydroxy-4-oxo-2,3-dihydrochromen-2-yl]phenoxy]oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
|
696.2054205 |
-4.2397 |
3.66 |
1.692 |
11 |
7 |
231.13 |
11 |
6 |
50 |
3 |
NPC285091 |
C42H60O16 |
|
820.3881358 |
-1.5704 |
4.32 |
3.149 |
16 |
7 |
256.04 |
20 |
8 |
58 |
2 |
NPC285354 |
C35H35NO14 |
[(4S,5S)-5-[(2S,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-[4-[(2S)-7-hydroxy-4-oxo-2,3-dihydrochromen-2-yl]phenoxy]oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl 1H-indole-3-carboxylate
|
693.2057548 |
-4.5609 |
3.66 |
1.922 |
12 |
7 |
226.69 |
10 |
7 |
50 |
2 |
NPC287246 |
C15H12O4 |
5,7-Dihydroxy-2-Phenyl-2,3-Dihydrochromen-4-One
|
256.07 |
-1.3541 |
2.67 |
2.493 |
1 |
2 |
66.76 |
3 |
3 |
19 |
0 |
NPC289107 |
C43H62O17 |
|
850.3987005 |
-2.4101 |
4.32 |
2.338 |
17 |
7 |
265.27 |
8 |
8 |
60 |
2 |
NPC29 |
C29H50O |
(3S)-17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
414.3861662 |
1.3 |
4.54 |
11.595 |
1 |
1 |
20.23 |
6 |
4 |
30 |
1 |
NPC290497 |
C21H20O9 |
7-hydroxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
|
416.1107322 |
-3.1711 |
2.78 |
1.422 |
6 |
5 |
145.91 |
4 |
4 |
30 |
0 |
NPC290613 |
C29H50O |
17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
|
414.3861662 |
1.3 |
4.54 |
11.595 |
1 |
1 |
20.23 |
6 |
4 |
30 |
1 |
NPC291428 |
C16H12O4 |
7-hydroxy-3-(4-methoxyphenyl)chromen-4-one
|
268.0735589 |
-1.1788 |
2.78 |
2.994 |
1 |
1 |
55.76 |
2 |
3 |
20 |
0 |
NPC291859 |
C20H18O6 |
5,7-dihydroxy-8-[(E)-4-hydroxy-3-methylbut-2-enyl]-3-(4-hydroxyphenyl)chromen-4-one
|
354.1103383 |
-1.2609 |
3 |
1.101 |
2 |
4 |
107.22 |
4 |
3 |
26 |
0 |
NPC293203 |
C20H20O4 |
|
324.1361591 |
-0.1402 |
3.22 |
3.207 |
0 |
2 |
58.92 |
5 |
4 |
24 |
0 |
NPC294173 |
C21H20O6 |
7-hydroxy-3-(7-hydroxy-5-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)chromen-4-one
|
368.1259884 |
-0.8811 |
3.11 |
2.659 |
1 |
2 |
85.22 |
2 |
4 |
27 |
0 |
NPC294815 |
C28H32O16 |
Narcissin
|
624.17 |
-5.7305 |
2.78 |
-1.098 |
11 |
9 |
254.52 |
18 |
5 |
44 |
2 |
NPC295539 |
C22H24O9 |
(2S)-2-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
|
432.1420323 |
-2.6925 |
2.89 |
1.271 |
6 |
4 |
134.91 |
5 |
4 |
31 |
0 |
NPC295643 |
C31H48O4 |
Methyl Glycyrrhetinate
|
484.36 |
1.9341 |
4.43 |
7.066 |
4 |
1 |
63.6 |
11 |
5 |
35 |
1 |
NPC295696 |
C21H20O6 |
|
368.1259884 |
-0.0333 |
3.11 |
3.047 |
1 |
2 |
85.22 |
7 |
4 |
27 |
0 |
NPC295787 |
C27H32O6 |
|
452.2198887 |
2.8708 |
3.77 |
4.185 |
3 |
1 |
82.06 |
7 |
3 |
33 |
0 |
NPC297687 |
C34H50O7 |
(2S,4aS,6aS,6bR,8aR,10S,12aS,14bR)-10-(3-carboxypropanoyloxy)-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid
|
570.3556539 |
1.8821 |
4.43 |
6.855 |
7 |
2 |
117.97 |
6 |
5 |
41 |
1 |
NPC29883 |
C7H6O3 |
Paraben
|
138.03 |
-0.7001 |
1.9 |
1.07 |
2 |
2 |
57.53 |
3 |
1 |
10 |
0 |
NPC298966 |
C21H16O6 |
|
364.0946882 |
0.1505 |
3.11 |
2.908 |
1 |
1 |
78.13 |
1 |
5 |
27 |
0 |
NPC299741 |
C21H20O5 |
1-methoxy-2-(3-methylbut-2-enyl)-6H-[1]benzofuro[3,2-c]chromene-3,9-diol
|
352.1310737 |
0.6084 |
3.22 |
2.919 |
0 |
2 |
72.06 |
3 |
4 |
26 |
0 |
NPC300323 |
C11H12O5 |
4-[(E)-2-carboxyethenyl]-2,6-dimethoxyphenolate
|
223.0606485 |
-1.1204 |
2.12 |
0.306 |
2 |
1 |
78.82 |
4 |
1 |
16 |
0 |
NPC301618 |
C27H26O12 |
[(2R,3S,4S,5R,6S)-6-[4-[(Z)-2-(3,5-dihydroxyphenyl)ethenyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
|
542.1424263 |
-3.6717 |
3.11 |
2.721 |
6 |
8 |
206.6 |
8 |
4 |
39 |
1 |
NPC301643 |
C22H22O8 |
[(E)-4-[(2S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-8-yl]-2-methylbut-2-enyl] acetate
|
414.1314677 |
-1.1089 |
3 |
0.692 |
3 |
4 |
133.52 |
6 |
3 |
30 |
0 |
NPC302670 |
C23H24O10 |
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[(2S)-7-hydroxy-4-oxo-2,3-dihydrochromen-2-yl]phenoxy]oxan-2-yl]methyl acetate
|
460.136947 |
-2.7219 |
2.89 |
1.063 |
7 |
4 |
151.98 |
6 |
4 |
33 |
0 |
NPC303197 |
C20H16O6 |
5,7-dihydroxy-3-(5-hydroxy-2,2-dimethylchromen-8-yl)chromen-4-one
|
352.0946882 |
-1.1398 |
3 |
1.949 |
1 |
3 |
96.22 |
1 |
4 |
26 |
0 |
NPC304515 |
C25H28O6 |
|
424.1885886 |
1.3626 |
3.55 |
2.707 |
1 |
4 |
107.22 |
5 |
3 |
31 |
0 |
NPC305204 |
C31H44O6 |
|
512.3137891 |
1.0882 |
4.21 |
4.546 |
6 |
1 |
89.9 |
2 |
6 |
37 |
0 |
NPC305843 |
C27H26O12 |
[(2R,3S,4S,5R,6S)-6-[4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
|
542.1424263 |
-3.6717 |
3.11 |
2.721 |
6 |
8 |
206.6 |
8 |
4 |
39 |
1 |
NPC306411 |
C42H62O16 |
(2S,3S,4S,5S,6R)-6-[(2S,3S,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aS,14aS,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
|
822.4037859 |
-1.6063 |
4.32 |
4.414 |
16 |
8 |
267.04 |
7 |
7 |
58 |
2 |
NPC306488 |
C21H20O6 |
Topazolin
|
368.13 |
-0.399 |
3.11 |
3.277 |
2 |
3 |
96.22 |
10 |
3 |
27 |
0 |
NPC307824 |
C21H20O6 |
3-[2,6-dihydroxy-4-methoxy-3-(3-methylbut-2-enyl)phenyl]-7-hydroxychromen-4-one
|
368.1259884 |
-0.222 |
3.11 |
2.538 |
1 |
3 |
96.22 |
4 |
3 |
27 |
0 |
NPC308200 |
C25H28O6 |
|
424.1885886 |
1.3626 |
3.55 |
2.707 |
1 |
4 |
107.22 |
13 |
3 |
31 |
0 |
NPC308331 |
C20H32O2 |
Geranylgeranoic Acid
|
304.24 |
4.9063 |
3.44 |
6.264 |
2 |
1 |
37.3 |
16 |
0 |
22 |
1 |
NPC308597 |
C42H62O16 |
(2S,3S,4S,5R,6R)-6-[(2S,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
|
822.4037859 |
-1.6063 |
4.32 |
4.414 |
16 |
8 |
267.04 |
7 |
7 |
58 |
2 |
NPC309452 |
C26H30O6 |
|
438.2042387 |
2.4623 |
3.66 |
3.666 |
3 |
2 |
93.06 |
13 |
3 |
32 |
0 |
NPC309780 |
C42H64O15 |
|
808.4245213 |
-1.1596 |
4.43 |
6.721 |
15 |
8 |
249.97 |
22 |
7 |
57 |
3 |
NPC31013 |
C32H32O12 |
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[4-(3-oxobutyl)phenoxy]-6-[[(E)-3-phenylprop-2-enoyl]oxymethyl]oxan-3-yl] 3,4,5-trihydroxybenzoate
|
608.1893765 |
-2.6453 |
3.66 |
5.476 |
8 |
5 |
189.28 |
13 |
4 |
44 |
2 |
NPC310370 |
C21H20O6 |
|
368.1259884 |
0.6258 |
3.11 |
2.926 |
1 |
3 |
96.22 |
10 |
3 |
27 |
0 |
NPC310655 |
C20H20O6 |
(2S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
|
356.1259884 |
-0.3973 |
3 |
1.833 |
1 |
4 |
107.22 |
3 |
3 |
26 |
0 |
NPC31106 |
C36H38O16 |
[(4S,5S)-5-[(2S,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-[4-[(2R)-7-hydroxy-4-oxo-2,3-dihydrochromen-2-yl]phenoxy]oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
726.2159851 |
-4.2915 |
3.66 |
1.037 |
11 |
7 |
240.36 |
12 |
6 |
52 |
3 |
NPC311485 |
C15H12O5 |
(2R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
|
272.0684735 |
-1.8144 |
2.56 |
0.897 |
1 |
3 |
86.99 |
1 |
3 |
20 |
0 |
NPC312256 |
C16H14O6 |
(E)-3-(3,4-Dihydroxy-2-Methoxyphenyl)-1-(3,4-Dihydroxyphenyl)Prop-2-En-1-One
|
302.08 |
-1.7957 |
2.56 |
1.575 |
1 |
4 |
107.22 |
9 |
2 |
22 |
0 |
NPC312785 |
C20H16O5 |
7-hydroxy-3-(5-hydroxy-2,2-dimethylchromen-8-yl)chromen-2-one
|
336.0997736 |
0.1683 |
3.11 |
3.3 |
1 |
2 |
75.99 |
1 |
4 |
25 |
0 |
NPC312935 |
C41H62O14 |
(2S,3S,4S,5R,6S)-6-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
|
778.4139567 |
-1.3703 |
4.43 |
4.457 |
14 |
7 |
229.74 |
7 |
7 |
55 |
2 |
NPC32441 |
C15H12O5 |
Naringenin
|
272.07 |
-1.8144 |
2.56 |
0.897 |
1 |
3 |
86.99 |
4 |
3 |
20 |
0 |
NPC32739 |
C20H20O5 |
8-Prenylnaringenin
|
340.13 |
0.063 |
3.11 |
2.367 |
1 |
3 |
86.99 |
8 |
3 |
25 |
0 |
NPC329225 |
C15H12O4 |
|
256.07 |
-1.3541 |
2.67 |
1.86 |
1 |
2 |
66.76 |
3 |
3 |
19 |
0 |
NPC33054 |
C27H30O16 |
Quercetin-3-Beta-Robinobioside
|
610.15 |
-6.139 |
2.67 |
-1.188 |
11 |
10 |
265.52 |
17 |
5 |
43 |
2 |
NPC33088 |
C21H20O7 |
|
384.120903 |
-0.9215 |
3 |
1.915 |
2 |
3 |
105.45 |
3 |
4 |
28 |
0 |
NPC33776 |
C42H64O16 |
(2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6S)-2-[[(3S,4S,6aR,8aS,11S,14bR)-11-carboxy-4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
|
824.419436 |
-2.2503 |
4.32 |
5.589 |
16 |
9 |
270.2 |
8 |
7 |
58 |
3 |
NPC37226 |
C21H22O5 |
|
354.1467238 |
0.6991 |
3.22 |
3.44 |
0 |
2 |
72.06 |
11 |
3 |
26 |
0 |
NPC37496 |
C20H20O4 |
Glabranin
|
324.14 |
0.5233 |
3.22 |
3.963 |
1 |
2 |
66.76 |
7 |
3 |
24 |
0 |
NPC38065 |
C15H10O6 |
Orobol
|
286.05 |
-2.5079 |
2.45 |
0.978 |
1 |
4 |
107.22 |
5 |
3 |
21 |
0 |
NPC38174 |
C20H18O6 |
|
354.1103383 |
-1.0241 |
3 |
1.167 |
1 |
3 |
96.22 |
1 |
4 |
26 |
0 |
NPC3825 |
C20H18O6 |
3',4',5,7-Tetrahydroxy-6-(3,3-Dimethylallyl)-Flavone
|
354.11 |
-0.4674 |
3 |
2.503 |
1 |
4 |
107.22 |
9 |
3 |
26 |
0 |
NPC38504 |
C25H28O6 |
|
424.1885886 |
1.4801 |
3.55 |
3.303 |
1 |
4 |
107.22 |
5 |
3 |
31 |
0 |
NPC38526 |
C32H40O18 |
(2S)-2-[4-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
|
712.2214644 |
-6.2566 |
3 |
-1.693 |
15 |
10 |
283.98 |
10 |
6 |
50 |
2 |
NPC38545 |
C20H18O6 |
|
354.1103383 |
-0.6305 |
3 |
2.448 |
1 |
4 |
107.22 |
9 |
3 |
26 |
0 |
NPC38664 |
C22H26O5 |
Glyasperin D
|
370.18 |
0.7258 |
3.33 |
3.352 |
0 |
2 |
68.15 |
11 |
3 |
27 |
0 |
NPC39064 |
C16H14O4 |
|
270.0892089 |
-1.1652 |
2.78 |
2.314 |
0 |
1 |
47.92 |
3 |
4 |
20 |
0 |
NPC39426 |
C15H10O5 |
Genistein
|
270.05 |
-2.0476 |
2.56 |
1.512 |
1 |
3 |
86.99 |
4 |
3 |
20 |
0 |
NPC39752 |
C25H26O4 |
(2S)-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-8,8-dimethyl-2,3-dihydropyrano[2,3-f]chromen-4-one
|
390.1831093 |
1.8914 |
3.77 |
4.73 |
1 |
1 |
55.76 |
3 |
4 |
29 |
0 |
NPC4036 |
C30H46O4 |
18Beta-Glycyrrhetic Acid
|
470.34 |
1.6831 |
4.32 |
6.745 |
4 |
2 |
74.6 |
10 |
5 |
34 |
1 |
NPC40694 |
C42H66O14 |
(2S,4aS,6bR,12aS)-10-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid
|
794.4452568 |
-1.8107 |
4.54 |
4.1 |
14 |
8 |
232.9 |
7 |
7 |
56 |
2 |
NPC40942 |
C21H20O5 |
5,7-dihydroxy-3-(4-methoxyphenyl)-6-(3-methylbut-2-enyl)chromen-4-one
|
352.1310737 |
0.2383 |
3.22 |
3.501 |
1 |
2 |
75.99 |
4 |
3 |
26 |
0 |
NPC41376 |
C36H36N2O5 |
|
576.26 |
0.2235 |
4.65 |
6.078 |
2 |
0 |
52.63 |
6 |
7 |
43 |
1 |
NPC42660 |
C21H20O7 |
6-(2,4-dihydroxyphenyl)-2-(2-hydroxypropan-2-yl)-4-methoxy-2,3-dihydrofuro[3,2-g]chromen-7-one
|
384.120903 |
-0.7996 |
3 |
2.017 |
2 |
3 |
105.45 |
3 |
4 |
28 |
0 |
NPC43251 |
C27H34O5 |
4-[5,7-dimethoxy-6-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-3-yl]-2-(3-methylbut-2-enyl)benzene-1,3-diol
|
438.2406242 |
2.6032 |
3.88 |
4.822 |
0 |
2 |
68.15 |
7 |
3 |
32 |
0 |
NPC43450 |
C36H38O16 |
[(3S,4R,5S)-5-[(2S,3R,4S,5S,6R)-2-[4-[(E)-3-(2,4-dihydroxyphenyl)-3-oxoprop-1-enyl]phenoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
726.2159851 |
-4.221 |
3.66 |
1.941 |
11 |
8 |
251.36 |
14 |
5 |
52 |
3 |
NPC43992 |
C26H32O5 |
|
424.2249741 |
1.1387 |
3.77 |
3.848 |
1 |
3 |
79.15 |
4 |
4 |
31 |
0 |
NPC44127 |
C20H18O7 |
3-(3,8-dihydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-5,7-dihydroxychromen-4-one
|
370.1052529 |
-2.0559 |
2.89 |
1.11 |
2 |
4 |
116.45 |
1 |
4 |
27 |
0 |
NPC44260 |
C27H24O18 |
1,2,6-Tri-O-Galloyl-Beta-D-Glucose
|
636.1 |
-5.5485 |
2.45 |
-0.518 |
9 |
11 |
310.66 |
21 |
4 |
45 |
1 |
NPC45165 |
C22H22O9 |
Ononin
|
430.13 |
-2.9257 |
2.89 |
1.886 |
6 |
4 |
134.91 |
10 |
4 |
31 |
0 |
NPC45240 |
C15H16O4 |
5-methoxy-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-8-one
|
260.104859 |
0.9762 |
2.67 |
2.679 |
1 |
0 |
44.76 |
1 |
3 |
19 |
0 |
NPC46260 |
C20H20O5 |
|
340.1310737 |
0.2906 |
3.11 |
2.536 |
0 |
3 |
83.06 |
4 |
3 |
25 |
0 |
NPC46727 |
C42H62O15 |
(2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,14a-dodecahydropicen-3-yl]oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
|
806.4088713 |
-0.5545 |
4.43 |
5.858 |
15 |
8 |
249.97 |
7 |
7 |
57 |
3 |
NPC471961 |
C42H62O16 |
|
822.4 |
-1.6063 |
4.32 |
4.414 |
16 |
8 |
267.04 |
22 |
7 |
58 |
2 |
NPC471962 |
C48H74O20 |
|
970.48 |
-3.5285 |
4.54 |
2.4 |
20 |
11 |
329.12 |
28 |
8 |
68 |
2 |
NPC471963 |
C48H74O19 |
|
954.48 |
-2.5445 |
4.65 |
3.996 |
19 |
10 |
308.89 |
27 |
8 |
67 |
2 |
NPC471964 |
C44H64O18 |
|
880.41 |
-1.8003 |
4.32 |
3.069 |
18 |
8 |
293.34 |
25 |
7 |
62 |
2 |
NPC471965 |
C41H62O14 |
|
778.41 |
-1.1978 |
4.43 |
4.5 |
14 |
7 |
229.74 |
20 |
7 |
55 |
2 |
NPC471966 |
C32H48O5 |
|
512.35 |
1.5365 |
4.43 |
5.814 |
5 |
1 |
80.67 |
12 |
5 |
37 |
1 |
NPC471967 |
C36H56O9 |
|
632.39 |
-0.0638 |
4.43 |
5.637 |
9 |
5 |
153.75 |
16 |
6 |
45 |
1 |
NPC4803 |
C50H76O21 |
(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aR,9R,11R,12aS,14aR,14bR)-9-acetyloxy-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-5-[(2R,3R,4S,5S,6S)-6-carboxy-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
|
1012.487909 |
-2.6005 |
4.65 |
4.542 |
21 |
10 |
335.19 |
11 |
8 |
71 |
3 |
NPC50315 |
C16H16O4 |
|
272.104859 |
-1.0998 |
2.78 |
2.326 |
0 |
2 |
58.92 |
5 |
3 |
20 |
0 |
NPC50574 |
C31H44O6 |
|
512.3137891 |
1.0882 |
4.21 |
4.546 |
6 |
1 |
89.9 |
2 |
6 |
37 |
0 |
NPC50898 |
C15H10O5 |
Apigenin
|
270.05 |
-1.8845 |
2.56 |
1.567 |
1 |
3 |
86.99 |
4 |
3 |
20 |
0 |
NPC51088 |
C16H12O4 |
|
268.0735589 |
-0.331 |
2.78 |
3.382 |
1 |
1 |
55.76 |
2 |
3 |
20 |
0 |
NPC51443 |
C15H10O6 |
Fisetin
|
286.05 |
-2.3409 |
2.45 |
2.344 |
2 |
4 |
107.22 |
5 |
3 |
21 |
0 |
NPC51558 |
C27H30O13 |
7-[3-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(4-methoxyphenyl)chromen-4-one
|
562.168641 |
-4.3344 |
3 |
0.549 |
10 |
6 |
193.83 |
8 |
5 |
40 |
1 |
NPC51604 |
C28H32O16 |
5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
|
624.1690349 |
-5.7305 |
2.78 |
-1.098 |
11 |
9 |
254.52 |
7 |
5 |
44 |
2 |
NPC51862 |
C22H22O9 |
3-(4-methoxyphenyl)-7-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
430.1263823 |
-2.9257 |
2.89 |
1.886 |
6 |
4 |
134.91 |
5 |
4 |
31 |
0 |
NPC51957 |
C21H25NO4.ClH |
Hydron;2,3,9,10-Tetramethoxy-6,8,13,13A-Tetrahydro-5H-Isoquinolino[2,1-B]Isoquinoline;Chloride
|
355.18 |
0.0968 |
3.22 |
2.548 |
1 |
0 |
40.16 |
8 |
4 |
26 |
0 |
NPC52889 |
C20H18O6 |
|
354.1103383 |
-1.2896 |
3 |
2.14 |
1 |
3 |
96.22 |
6 |
4 |
26 |
0 |
NPC53377 |
C42H62O15 |
(2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11R,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,14a-dodecahydropicen-3-yl]oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
|
806.4088713 |
-0.5545 |
4.43 |
5.858 |
15 |
8 |
249.97 |
7 |
7 |
57 |
3 |
NPC53414 |
C15H10O5 |
|
270.0528234 |
-1.2665 |
2.56 |
0.453 |
2 |
3 |
94.83 |
4 |
3 |
20 |
0 |
NPC53558 |
C21H20O11 |
2-(3,4-dihydroxyphenyl)-7-hydroxy-4-oxo-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-5-olate
|
447.0927364 |
-4.9143 |
2.56 |
-1.042 |
6 |
7 |
200.2 |
3 |
4 |
32 |
1 |
NPC53665 |
C21H22O9 |
|
418.1263823 |
-3.101 |
2.78 |
0.752 |
6 |
5 |
145.91 |
4 |
4 |
30 |
0 |
NPC53707 |
C20H18O6 |
3-[2,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxychromen-4-one
|
354.1103383 |
-0.6305 |
3 |
2.019 |
1 |
4 |
107.22 |
3 |
3 |
26 |
0 |
NPC53986 |
C21H24O5 |
Glyasperin C
|
356.16 |
0.3173 |
3.22 |
2.833 |
0 |
3 |
79.15 |
10 |
3 |
26 |
0 |
NPC55450 |
C48H72O19 |
|
952.4667801 |
-2.3706 |
4.65 |
4.622 |
19 |
9 |
297.89 |
8 |
9 |
67 |
2 |
NPC55832 |
C25H26O6 |
Angustone A
|
422.17 |
1.2469 |
3.55 |
3.489 |
1 |
4 |
107.22 |
13 |
3 |
31 |
0 |
NPC56106 |
C48H72O19 |
|
952.4667801 |
-2.3706 |
4.65 |
4.622 |
19 |
9 |
297.89 |
8 |
9 |
67 |
2 |
NPC56898 |
C21H20O5 |
5,7-dihydroxy-3-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one
|
352.1310737 |
0.2383 |
3.22 |
3.501 |
1 |
2 |
75.99 |
4 |
3 |
26 |
0 |
NPC57023 |
C24H30O4 |
4-[2-[5-hydroxy-3-(3-methylbut-2-enoxy)-2-(3-methylbut-2-enyl)phenyl]ethyl]benzene-1,2-diol
|
382.2144094 |
2.035 |
3.66 |
5.665 |
0 |
3 |
69.92 |
8 |
2 |
28 |
1 |
NPC57587 |
C21H22O9 |
(E)-3-(4-hydroxyphenyl)-1-[2-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one
|
418.1263823 |
-3.0305 |
2.78 |
1.656 |
6 |
6 |
156.91 |
6 |
3 |
30 |
1 |
NPC57897 |
C21H32O4 |
1-[(3S,12R,14S,17S)-3,12,14-trihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone
|
348.2300595 |
-1.023 |
3.33 |
1.205 |
4 |
3 |
77.76 |
1 |
4 |
25 |
0 |
NPC57940 |
C21H22O5 |
(6aR,11aR)-1-methoxy-2-(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol
|
354.1467238 |
0.2519 |
3.22 |
2.821 |
0 |
2 |
68.15 |
3 |
4 |
26 |
0 |
NPC5871 |
C26H28O5 |
|
420.193674 |
2.4858 |
3.77 |
4.389 |
0 |
2 |
72.06 |
12 |
4 |
31 |
0 |
NPC59040 |
C42H62O16 |
(2S,3S,4S,5R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
|
822.4037859 |
-1.6063 |
4.32 |
4.414 |
16 |
8 |
267.04 |
7 |
7 |
58 |
2 |
NPC59210 |
C25H26O5 |
5,7-dihydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-6-(3-methylbut-2-enyl)chromen-4-one
|
406.1780239 |
1.8703 |
3.66 |
4.507 |
1 |
3 |
86.99 |
5 |
3 |
30 |
0 |
NPC59432 |
C21H20O6 |
|
368.1259884 |
0.0857 |
3.11 |
2.684 |
1 |
4 |
107.22 |
3 |
3 |
27 |
0 |
NPC59841 |
C21H22O5 |
|
354.1467238 |
-0.192 |
3.22 |
2.763 |
0 |
2 |
68.15 |
7 |
4 |
26 |
0 |
NPC60036 |
C15H18O3 |
|
246.1255944 |
-0.0572 |
2.78 |
2.165 |
2 |
0 |
47.28 |
1 |
3 |
18 |
0 |
NPC61119 |
C26H30O13 |
|
550.168641 |
-4.5097 |
2.89 |
-1.014 |
10 |
7 |
204.83 |
7 |
5 |
39 |
1 |
NPC6118 |
C25H26O4 |
(E)-1-(5-hydroxy-2,2-dimethylchromen-6-yl)-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]prop-2-en-1-one
|
390.1831093 |
1.9619 |
3.77 |
5.634 |
1 |
2 |
66.76 |
5 |
3 |
29 |
1 |
NPC61890 |
C20H20O5 |
1-[2,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)propane-1,3-dione
|
340.1310737 |
0.0037 |
3.11 |
3.467 |
2 |
3 |
94.83 |
6 |
2 |
25 |
0 |
NPC62482 |
C27H32O14 |
7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,3-dihydrochromen-4-one
|
580.1792057 |
-4.8479 |
2.89 |
-0.356 |
11 |
8 |
225.06 |
7 |
5 |
41 |
2 |
NPC62730 |
C26H30O5 |
(6aR,11aR)-1-methoxy-2,8-bis(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol
|
422.2093241 |
2.1293 |
3.77 |
4.291 |
0 |
2 |
68.15 |
5 |
4 |
31 |
0 |
NPC63206 |
C36H38O16 |
[(3S,4R,5S)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[4-[(2S)-7-hydroxy-4-oxo-2,3-dihydrochromen-2-yl]phenoxy]oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
|
726.2159851 |
-4.2915 |
3.66 |
1.037 |
11 |
7 |
240.36 |
12 |
6 |
52 |
3 |
NPC64885 |
C16H10O6 |
7-hydroxy-3-(4-hydroxy-1,3-benzodioxol-5-yl)chromen-4-one
|
298.047738 |
-1.89 |
2.56 |
1.514 |
1 |
2 |
85.22 |
1 |
4 |
22 |
0 |
NPC65120 |
C30H46O4 |
18Alpha-Glycyrrhetic Acid
|
470.34 |
1.6831 |
4.32 |
6.745 |
4 |
2 |
74.6 |
10 |
5 |
34 |
1 |
NPC65379 |
C20H18O6 |
2-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxychromen-4-one
|
354.1103383 |
-0.4674 |
3 |
2.503 |
1 |
4 |
107.22 |
3 |
3 |
26 |
0 |
NPC65504 |
C21H18O5 |
|
350.1154237 |
0.0991 |
3.22 |
2.849 |
0 |
1 |
61.06 |
5 |
5 |
26 |
0 |
NPC65888 |
C26H30O5 |
|
422.2093241 |
2.5824 |
3.77 |
3.949 |
1 |
3 |
86.99 |
5 |
3 |
31 |
0 |
NPC68205 |
C21H22O4 |
|
338.1518092 |
0.2683 |
3.33 |
3.726 |
0 |
1 |
47.92 |
6 |
4 |
25 |
0 |
NPC68386 |
C31H48O5 |
methyl (2S,4aS,6bR,9S,10S,12aS,14bR)-10-hydroxy-9-(hydroxymethyl)-2,4a,6a,6b,9,12a-hexamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylate
|
500.3501746 |
0.8434 |
4.32 |
6.363 |
5 |
2 |
83.83 |
3 |
5 |
36 |
1 |
NPC6848 |
C42H70O35 |
Betadex
|
1134.37 |
-12.2283 |
2.23 |
-13.762 |
35 |
21 |
554.05 |
28 |
7 |
77 |
2 |
NPC68516 |
C21H20O6 |
|
368.1259884 |
0.6258 |
3.11 |
2.926 |
1 |
3 |
96.22 |
4 |
3 |
27 |
0 |
NPC6989 |
C21H20O6 |
7-hydroxy-3-(8-hydroxy-2,2-dimethylchromen-6-yl)-5-methoxy-2,3-dihydrochromen-4-one
|
368.1259884 |
-0.6156 |
3.11 |
1.686 |
1 |
2 |
85.22 |
2 |
4 |
27 |
0 |
NPC70136 |
C15H10O5 |
3',4',7-Trihydroxyflavon
|
270.05 |
-1.8845 |
2.56 |
1.996 |
1 |
3 |
86.99 |
4 |
3 |
20 |
0 |
NPC70741 |
C10H10O4 |
4-[(E)-2-carboxyethenyl]-2-methoxyphenolate
|
193.0500838 |
-0.7246 |
2.12 |
1.231 |
2 |
1 |
69.59 |
3 |
1 |
14 |
0 |
NPC70914 |
C31H48O4 |
|
484.35526 |
1.8952 |
4.43 |
7.807 |
4 |
2 |
66.76 |
3 |
5 |
35 |
1 |
NPC71739 |
C21H20O6 |
|
368.1259884 |
0.3701 |
3.11 |
3.256 |
1 |
3 |
96.22 |
10 |
3 |
27 |
0 |
NPC71853 |
C10H12O |
Estragole
|
148.09 |
0.9769 |
2.45 |
3.658 |
0 |
0 |
9.23 |
4 |
1 |
11 |
0 |
NPC72158 |
C20H20O4 |
Isobavachalcone
|
324.14 |
0.5938 |
3.22 |
4.234 |
1 |
3 |
77.76 |
10 |
2 |
24 |
0 |
NPC72862 |
C27H32O5 |
8-[(3R)-5,7-dimethoxy-6-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-3-yl]-2,2-dimethylchromen-5-ol
|
436.2249741 |
2.0939 |
3.88 |
4.752 |
0 |
1 |
57.15 |
5 |
4 |
32 |
0 |
NPC72997 |
C42H62O16 |
|
822.4037859 |
-1.6063 |
4.32 |
4.414 |
16 |
8 |
267.04 |
7 |
7 |
58 |
2 |
NPC73092 |
C9H6O3 |
3,4,5,6,8-pentadeuterio-7-hydroxychromen-2-one
|
162.0316941 |
-0.1903 |
2.12 |
1.532 |
1 |
1 |
46.53 |
0 |
2 |
12 |
0 |
NPC73137 |
C23H26O11 |
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[4-(3-oxobutyl)phenoxy]oxan-3-yl] 3,4,5-trihydroxybenzoate
|
478.1475117 |
-3.3756 |
2.78 |
1.181 |
7 |
6 |
183.21 |
9 |
3 |
34 |
1 |
NPC73698 |
C10H12O5 |
methyl 2-hydroxy-3,4-dimethoxybenzoate
|
212.0684735 |
-0.5527 |
2.01 |
1.486 |
2 |
1 |
64.99 |
4 |
1 |
15 |
0 |
NPC74178 |
C20H16O6 |
|
352.0946882 |
-1.1398 |
3 |
1.949 |
1 |
3 |
96.22 |
6 |
4 |
26 |
0 |
NPC74751 |
C32H48O5 |
Acetoxolone
|
512.35 |
2.0622 |
4.43 |
7.485 |
5 |
1 |
80.67 |
12 |
5 |
37 |
1 |
NPC75113 |
C20H18O7 |
3,6,7-trihydroxy-2-[4-hydroxy-3-(3-methylbut-2-enoxy)phenyl]chromen-4-one
|
370.1052529 |
-0.9272 |
2.89 |
3.101 |
2 |
4 |
116.45 |
4 |
3 |
27 |
0 |
NPC76446 |
C42H60O16 |
(2S,3S,4R,5R)-6-[(11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl)oxy]-3-[(2R,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-4,5-dihydroxy-2,3,4,5-tetrahydropyran-1-ium-2-carboxylic acid
|
821.3959609 |
-1.6048 |
4.32 |
4.311 |
15 |
8 |
257.81 |
6 |
7 |
58 |
2 |
NPC77027 |
C25H30O4 |
4-[(3R)-7-hydroxy-8-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-3-yl]-2-(3-methylbut-2-enyl)benzene-1,3-diol
|
394.2144094 |
2.2465 |
3.77 |
4.747 |
0 |
3 |
69.92 |
5 |
3 |
29 |
0 |
NPC77196 |
C25H26O4 |
Hispaglabridin B
|
390.18 |
1.2279 |
3.77 |
4.607 |
0 |
1 |
47.92 |
6 |
5 |
29 |
0 |
NPC78634 |
C25H28O4 |
4-(8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl)-2-(3-methylbut-2-enyl)benzene-1,3-diol
|
392.1987594 |
1.7372 |
3.77 |
4.677 |
0 |
2 |
58.92 |
3 |
4 |
29 |
0 |
NPC78946 |
C16H22O7 |
4-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]butan-2-one
|
326.136553 |
-2.3639 |
2.45 |
0.788 |
6 |
4 |
116.45 |
6 |
2 |
23 |
0 |
NPC79264 |
C42H62O16.H3N |
azanium;(2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-[(2S,3R,4S,5S,6S)-6-carboxy-3-[(2R,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylate
|
822.4037859 |
-1.6063 |
4.32 |
4.414 |
16 |
8 |
267.04 |
7 |
7 |
58 |
2 |
NPC79265 |
C42H62O16.H3N |
azanium;(2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
|
823.4116109 |
-1.583 |
4.32 |
4.346 |
15 |
9 |
249.97 |
7 |
7 |
58 |
2 |
NPC79943 |
C15H12O5 |
5,7-Dihydroxy-2-(4-Hydroxyphenyl)-2,3-Dihydrochromen-4-One
|
272.07 |
-1.8144 |
2.56 |
0.897 |
1 |
3 |
86.99 |
4 |
3 |
20 |
0 |
NPC79958 |
C42H62O16 |
6-[2-carboxy-6-[(11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl)oxy]-3,5-dihydroxyoxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
|
822.4037859 |
-1.6063 |
4.32 |
3.985 |
16 |
8 |
267.04 |
7 |
7 |
58 |
2 |
NPC80710 |
C16H12O5 |
Calycosin
|
284.07 |
-1.6391 |
2.67 |
2.031 |
1 |
2 |
75.99 |
5 |
3 |
21 |
0 |
NPC8087 |
C6H13NO4 |
2,5-Dideoxy-2,5-Imino-D-Mannitol
|
163.08 |
-2.44 |
1.57 |
-0.929 |
5 |
5 |
92.95 |
6 |
1 |
11 |
0 |
NPC8113 |
C31H48O5 |
|
500.3501746 |
1.3198 |
4.32 |
4.853 |
5 |
2 |
83.83 |
2 |
5 |
36 |
0 |
NPC82997 |
C20H20O4 |
4-(8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl)benzene-1,3-diol
|
324.1361591 |
-0.1402 |
3.22 |
3.207 |
0 |
2 |
58.92 |
1 |
4 |
24 |
0 |
NPC83068 |
C21H20O6 |
(3S)-7-hydroxy-3-(8-hydroxy-2,2-dimethylchromen-6-yl)-5-methoxy-2,3-dihydrochromen-4-one
|
368.1259884 |
-0.6156 |
3.11 |
1.686 |
1 |
2 |
85.22 |
2 |
4 |
27 |
0 |
NPC83300 |
C42H62O16 |
(2S,3S,4S,5R)-6-[(3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
|
822.4037859 |
-1.6063 |
4.32 |
4.414 |
16 |
8 |
267.04 |
7 |
7 |
58 |
2 |
NPC83411 |
C26H30O13 |
|
550.168641 |
-4.5097 |
2.89 |
-0.585 |
10 |
7 |
204.83 |
7 |
5 |
39 |
1 |
NPC84124 |
C20H16O6 |
7-(2,4-dihydroxyphenyl)-5-hydroxy-2,2-dimethylpyrano[3,2-g]chromen-6-one
|
352.0946882 |
-1.1398 |
3 |
1.949 |
1 |
3 |
96.22 |
1 |
4 |
26 |
0 |
NPC84279 |
C30H33N3O2 |
1-(3-benzylphenyl)-3-[4-[(3-methoxynaphthalen-1-yl)amino]pentyl]urea
|
467.2572773 |
-0.8782 |
4.21 |
10.715 |
4 |
3 |
65.88 |
11 |
4 |
35 |
2 |
NPC8479 |
C26H43NO8 |
|
497.2988673 |
-3.7478 |
3.33 |
-1.037 |
9 |
3 |
110.08 |
7 |
6 |
35 |
0 |
NPC8536 |
C26H30O13 |
2-[4-[3-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-7-hydroxy-2,3-dihydrochromen-4-one
|
550.168641 |
-4.5097 |
2.89 |
-0.585 |
10 |
7 |
204.83 |
7 |
5 |
39 |
1 |
NPC87395 |
C27H30O14 |
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]chromen-4-one
|
578.1635556 |
-5.8559 |
2.89 |
-1.88 |
10 |
10 |
247.06 |
4 |
5 |
41 |
1 |
NPC88677 |
C48H72O19 |
|
952.4667801 |
-2.3706 |
4.65 |
4.622 |
19 |
9 |
297.89 |
8 |
9 |
67 |
2 |
NPC90907 |
C47H72O16 |
|
892.4820362 |
-1.7197 |
4.87 |
6.406 |
16 |
6 |
245.04 |
12 |
7 |
63 |
4 |
NPC91298 |
C42H62O16 |
(2S,3S,4S,5R,6R)-6-[(2R,3R,5S,6S)-2-[[(3S,6aR,6bS,8aS,11S,14bS)-11-carboxylato-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxylato-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate
|
819.3803108 |
-3.6397 |
4.32 |
2.113 |
16 |
5 |
275.53 |
7 |
7 |
58 |
1 |
NPC91643 |
C21H22O9 |
(E)-3-(4-hydroxyphenyl)-1-[2-hydroxy-4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one
|
418.1263823 |
-3.0305 |
2.78 |
1.656 |
6 |
6 |
156.91 |
6 |
3 |
30 |
1 |
NPC92366 |
C20H20O5 |
|
340.1310737 |
0.2906 |
3.11 |
2.921 |
0 |
3 |
83.06 |
4 |
3 |
25 |
0 |
NPC93496 |
C21H22O9 |
(2R)-7-hydroxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,3-dihydrochromen-4-one
|
418.1263823 |
-3.101 |
2.78 |
0.752 |
6 |
5 |
145.91 |
4 |
4 |
30 |
0 |
NPC93503 |
C30H46O4 |
(2S,4aS,6aS,6bR,10S,12aS)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid
|
470.33961 |
1.6831 |
4.32 |
6.745 |
4 |
2 |
74.6 |
1 |
5 |
34 |
1 |
NPC93962 |
C26H32O5 |
Licoricidin
|
424.22 |
2.1947 |
3.77 |
4.303 |
0 |
3 |
79.15 |
14 |
3 |
31 |
0 |
NPC94583 |
C20H20O14 |
3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-2-yl]oxybenzoic acid
|
484.0853053 |
-4.3793 |
2.12 |
-1.571 |
8 |
9 |
243.9 |
7 |
3 |
34 |
1 |
NPC95246 |
C30H46O3 |
|
454.3446953 |
2.4705 |
4.43 |
7.661 |
3 |
2 |
57.53 |
10 |
5 |
33 |
1 |
NPC95933 |
C20H20O7 |
(2S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(E)-4-hydroxy-3-methylbut-2-enyl]-2,3-dihydrochromen-4-one
|
372.120903 |
-1.488 |
2.89 |
-0.048 |
2 |
5 |
127.45 |
4 |
3 |
27 |
0 |
NPC96173 |
C45H64O19 |
(2S,3R,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[(3S,4aS,6aR,6bS,8aR,9R,11S,12aS,14aR,14bS)-9-acetyloxy-11-carboxy-11-methoxycarbonyl-4,4,6a,6b,8a,14b-hexamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
|
908.4041798 |
-2.1717 |
4.32 |
3.86 |
19 |
8 |
310.41 |
10 |
7 |
64 |
2 |
NPC96324 |
C26H28O14 |
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one
|
564.1479056 |
-5.8452 |
2.78 |
-2.34 |
10 |
10 |
247.06 |
4 |
5 |
40 |
1 |
NPC97129 |
C25H28O5 |
(3R)-3,7-dihydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
|
408.193674 |
1.7485 |
3.66 |
4.465 |
2 |
3 |
86.99 |
5 |
3 |
30 |
0 |
NPC97255 |
C21H20O7 |
2-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-3-methoxychromen-4-one
|
384.120903 |
-0.8593 |
3 |
2.743 |
2 |
4 |
116.45 |
4 |
3 |
28 |
0 |
NPC97301 |
C12H14O8 |
[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl] 3,4-dihydroxybenzoate
|
286.0688674 |
-2.5541 |
1.9 |
-0.527 |
6 |
5 |
136.68 |
3 |
2 |
20 |
0 |
NPC97802 |
C21H22O6 |
|
370.1416384 |
-0.1063 |
3.11 |
1.756 |
1 |
3 |
96.22 |
4 |
3 |
27 |
0 |
NPC98108 |
C42H64O15 |
|
808.4245213 |
-1.1596 |
4.43 |
6.721 |
15 |
8 |
249.97 |
7 |
7 |
57 |
3 |
NPC98304 |
C22H22O9 |
2-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
|
430.1263823 |
-2.7626 |
2.89 |
1.941 |
6 |
4 |
134.91 |
5 |
4 |
31 |
0 |
NPC98465 |
C19H18O5 |
|
326.1154237 |
-0.1179 |
3 |
2.402 |
0 |
4 |
94.06 |
3 |
3 |
24 |
0 |
NPC98539 |
C27H32O14 |
|
580.1792057 |
-4.8479 |
2.89 |
-0.356 |
11 |
8 |
225.06 |
7 |
5 |
41 |
2 |
NPC9887 |
C37H42N2O6 |
4-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-[[(1R)-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]phenol
|
610.3042871 |
-0.4407 |
4.65 |
5.524 |
2 |
2 |
83.86 |
9 |
6 |
45 |
1 |
NPC99156 |
C15H12O4 |
(3S)-7-hydroxy-3-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
|
256.0735589 |
-1.4716 |
2.67 |
1.693 |
1 |
2 |
66.76 |
1 |
3 |
19 |
0 |
NPC99886 |
C10H12O |
Anethole
|
148.09 |
0.8555 |
2.45 |
3.979 |
0 |
0 |
9.23 |
4 |
1 |
11 |
0 |