517 Known Ingredients in Total


Unique ingredients have been isolated from this plant.
Plant-Ingredients Associations were manually curated from publications or collected from other databases.



102 Ingredients with Available Activity


Unique ingredients have activity data available.


Ingredient Structrual Cards

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC100380 C11H16O 164.1201151 1.1043 2.56 2.324 1 0 17.07 5 1 12 0
NPC100521 C15H18O9 3-[3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoic acid 342.0950822 -2.5462 2.12 -0.396 7 6 156.91 5 2 24 1
NPC100570 C15H24 204.1878008 2.4838 3.11 6.597 0 0 0 0 3 15 1
NPC101051 C16H22O10 374.1212969 -3.1892 2.12 -1.4 10 5 155.14 9 3 26 0
NPC101285 C15H24O 220.1827154 1.9144 3 4.607 1 0 12.53 3 3 16 0
NPC10147 C17H24O11 methyl (1S,4aS,8S,8aS)-1-methyl-3-oxo-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,8,8a-tetrahydro-1H-pyrano[3,4-c]pyran-5-carboxylate 404.1318616 -2.8625 2.12 -1.112 11 4 161.21 5 3 28 1
NPC102449 C27H30O15 5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,4R,5S)-3,4,5-trihydroxy-6-[[(2R,4R,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
NPC102981 C6H12O6 180.06 -3.0642 1.46 -1.458 6 6 121.38 6 1 12 1
NPC103213 C15H26O Farnesol 222.2 3.5719 3 4.346 1 1 20.23 12 0 16 0
NPC103225 C21H22O10 434.1212969 -2.1296 2.67 3.129 8 4 151.98 8 3 31 0
NPC105094 C35H68O4 (2-pentadecyl-1,3-dioxolan-4-yl)methyl hexadecanoate 552.5117607 -7.9329 4.87 15.69 4 0 44.76 31 1 39 2
NPC106250 C15H24O 220.1827154 1.9144 3 4.607 1 0 12.53 0 3 16 0
NPC106477 C34H44O17 [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2-methoxy-4-prop-2-enylphenoxy)oxan-2-yl]methyl 2-[(3R,4aS,5R,6S)-5-ethenyl-1-oxo-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl]acetate 724.2578499 -2.823 3.33 0.891 15 7 249.59 14 5 51 3
NPC107149 C25H31NO10 505.1947962 -3.3565 3 2.331 11 5 166.22 8 4 36 1
NPC1075 C9H8O4 (Z)-3-(3,4-Dihydroxyphenyl)Prop-2-Enoic Acid 180.04 -0.7993 2.01 1.141 2 3 77.76 5 1 13 0
NPC107702 C23H29NO10 479.1791461 -4.5382 2.78 -0.219 10 5 172.85 9 3 34 0
NPC108218 C8H10O 122.0731649 -0.1931 2.23 3.189 1 1 20.23 3 1 9 0
NPC108494 C15H26O 222.1983655 3.7014 3 4.29 1 1 20.23 12 0 16 0
NPC108526 C48H93NO11 859.6748628 -11.8596 5.42 13.938 12 9 212.89 41 1 60 4
NPC108779 C8H8O 1-deuterio-2-phenylethanone 120.0575149 -0.1576 2.23 3.494 1 0 17.07 2 1 9 0
NPC108785 C10H16O2 (2S)-2-[(2R,5S)-5-ethenyl-5-methyloxolan-2-yl]propanal 168.1150298 0.7276 2.34 1.638 2 0 26.3 3 1 12 0
NPC109813 C15H24 Beta-Caryophyllene 204.19 3.2289 3.11 6.044 0 0 0 3 2 15 1
NPC111032 C52H84O21 1044.55051 -4.5846 4.87 3.621 21 12 333.67 11 9 73 3
NPC111732 C31H33NO13 Lonijaposide W 627.2 -4.6754 3.33 2.9 13 6 227.22 19 4 45 3
NPC111888 C8H8O4 Vanillic Acid 168.04 -0.7519 1.9 0.626 2 2 66.76 5 1 12 0
NPC112744 C26H26O12 methyl (1R,3R,4S)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylate 530.1424263 -2.1355 3 1.406 8 6 200.28 10 3 38 1
NPC112834 C20H26O9 butyl (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylate 410.1576824 -2.5606 2.67 1.224 7 5 153.75 9 2 29 0
NPC112945 C15H26O 3,7,11-trimethyldodeca-2,6,10-trien-1-ol 222.1983655 3.5719 3 4.346 1 1 20.23 7 0 16 0
NPC112954 C30H18O10 Ochnaflavone 538.09 -3.4628 3.66 3.189 2 5 162.98 9 6 40 0
NPC114361 C16H22O12S 438.0831971 -2.8992 1.79 -1.886 12 5 197.66 5 3 29 1
NPC114924 C23H46O2 methyl docosanoate 354.3497807 -5.3747 3.77 11.305 2 0 26.3 21 0 25 2
NPC114992 C15H26O (4S,7S)-1,1,4,7-tetramethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-ol 222.1983655 1.2587 3 5.078 1 1 20.23 0 3 16 1
NPC115469 C10H18O2 5-(3,3-dimethyloxiran-2-yl)-3-methylpent-1-en-3-ol 170.1306798 0.759 2.34 1.559 2 1 32.76 4 1 12 0
NPC115632 C8H14O2 [(E)-hex-3-enyl] acetate 142.0993797 -0.1265 2.12 2.213 2 0 26.3 5 0 10 0
NPC115674 C27H30O15 Lonicerin 594.16 -5.3386 2.78 -0.909 10 9 245.29 16 5 42 1
NPC115802 C55H88O23 1116.571639 -4.7162 4.98 3.689 23 12 359.97 14 9 78 3
NPC116775 C15H10O6 Kaempferol 286.05 -2.3409 2.45 1.915 2 4 107.22 5 3 21 0
NPC117596 C18H26O11 418.1475117 -2.0536 2.23 -0.74 11 4 161.21 15 2 29 1
NPC117725 C41H81NO6 683.6063893 -9.8247 5.2 14.477 7 6 133.74 37 0 48 3
NPC118343 C14H12O2 Benzyl Benzoate 212.08 -0.0795 2.78 5.895 2 0 26.3 4 2 16 1
NPC11978 C40H56O4 600.4178603 6.9478 5.42 6.456 4 2 58.92 8 4 44 1
NPC120464 C17H14O7 Tricin 330.07 -1.9881 2.56 0.679 1 3 105.45 8 3 24 0
NPC120926 C15H24 Germacrene D 204.19 2.7967 3.11 6.294 0 0 0 4 1 15 1
NPC121151 C47H76O17 912.508251 -3.3484 4.76 4.915 17 10 274.75 9 8 64 2
NPC121322 C15H24 (1aS,4aS,7S,7aS,7bR)-1,1,7-trimethyl-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene 204.1878008 2.1549 3.11 6.544 0 0 0 0 3 15 1
NPC123754 C53H86O23 [(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate 1090.555989 -5.5953 4.76 2.675 23 14 374.13 13 9 76 3
NPC123797 C17H32O2 methyl (Z)-hexadec-7-enoate 268.2402303 -1.5157 3.11 7.375 2 0 26.3 14 0 19 2
NPC125036 C58H94O25 1190.608419 -5.8315 5.09 2.787 25 14 392.59 13 10 83 3
NPC125144 C7H7NO 121.0527638 -0.1505 2.01 3.323 0 1 32.59 2 1 9 0
NPC127056 C41H66O12 750.4554276 -0.8533 4.65 6.65 12 7 195.6 20 7 53 3
NPC127647 C25H31NO11 521.1897108 -4.1957 2.89 0.719 11 4 178.92 17 3 37 1
NPC12880 C65H106O32 [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] 10-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate 1398.666721 -8.5891 5.09 -0.554 32 19 512.2 18 11 97 3
NPC128825 C8H8O3 Methyl Salicylate 152.05 -0.4491 2.01 2.585 2 1 46.53 4 1 11 0
NPC129088 C25H24O12 516.1267762 -2.3865 2.89 1.085 8 7 211.28 9 3 37 1
NPC12944 C28H35NO13 Lonijaposide T 593.21 -3.9093 3 1.07 13 6 227.22 21 3 42 3
NPC130308 C40H56O4 600.4178603 6.9478 5.42 6.456 4 2 58.92 8 4 44 1
NPC130398 C8H8O2 Methyl Benzoate 136.05 0.0112 2.12 2.987 2 0 26.3 3 1 10 0
NPC130593 C46H91NO6 753.6846396 -11.2647 5.75 17.322 7 6 133.74 42 0 53 3
NPC131623 C20H40O 3,7,11,15-Tetramethylhexadec-1-En-3-Ol 296.31 1.9111 3.55 8.893 1 1 20.23 19 0 21 2
NPC133671 C21H20O11 Astragalin 448.1 -4.4318 2.56 0.18 7 7 186.37 11 4 32 1
NPC134616 C6H12O6 (2R,3S,5R,6R)-cyclohexane-1,2,3,4,5,6-hexol 180.0633881 -3.0642 1.46 -1.458 6 6 121.38 0 1 12 1
NPC13483 C21H42O2 methyl icosanoate 326.3184806 -4.7987 3.55 10.167 2 0 26.3 19 0 23 2
NPC13789 C15H24O (-)-Caryophyllene Oxide 220.18 1.9144 3 4.607 1 0 12.53 3 3 16 0
NPC137894 C16H18O9 354.0950822 -2.1962 2.23 -0.876 7 6 164.75 5 2 25 1
NPC137949 C9H6O4 Esculetin 178.03 -0.6506 2.01 0.998 1 2 66.76 2 2 13 0
NPC137987 C6H12O6 180.0633881 -3.0642 1.46 -1.458 6 6 121.38 0 1 12 1
NPC13818 C25H24O12 516.13 -2.3865 2.89 1.085 8 7 211.28 16 3 37 1
NPC138453 C55H88O23 [(2S,3R,4S,5S,6R)-6-[[(2R,3R,4S,5S,6R)-6-(acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(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-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate 1116.571639 -4.7162 4.98 3.689 23 12 359.97 14 9 78 3
NPC139460 C10H16O (5E)-3,7-dimethylocta-1,5,7-trien-3-ol 152.1201151 2.0859 2.45 2.399 1 1 20.23 4 0 11 0
NPC139545 C19H32O2 292.2402303 0.1531 3.33 7.859 2 0 26.3 16 0 21 2
NPC139546 C10H18O (3S)-3,7-dimethylocta-1,6-dien-3-ol 154.1357652 2.4692 2.45 2.468 1 1 20.23 4 0 11 0
NPC142703 C16H18O9 354.0950822 -2.1962 2.23 -0.447 7 6 164.75 11 2 25 1
NPC143326 C10H17NO6 247.1055873 -1.5784 1.79 -1.478 7 4 123.17 9 1 17 0
NPC143394 C30H40O18 688.2214644 -4.9771 2.78 -0.935 16 9 280.82 14 4 48 3
NPC143603 C9H7N 129.0578492 0 2.34 3.065 1 0 12.89 0 2 10 0
NPC144235 C16H22O10 (2S,3R,4S)-3-ethenyl-4-(2-oxoethyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylic acid 374.1212969 -2.5082 2.12 -0.968 10 5 162.98 7 2 26 0
NPC144249 C15H24O (2E,6E)-3,7,11-trimethyl-10-tritiododeca-2,6,10-trienal 220.1827154 3.7215 3 4.523 1 0 17.07 7 0 16 0
NPC144682 C15H24O Butylated Hydroxytoluene 220.18 3.2941 3 5.957 0 1 20.23 10 1 16 1
NPC145252 C53H86O23 1090.555989 -5.5953 4.76 2.675 23 14 374.13 13 9 76 3
NPC145356 C17H24O10 388.136947 -2.4095 2.23 -0.469 10 4 144.14 5 3 27 0
NPC145693 C19H30O11 434.1788118 -2.359 2.34 -0.449 11 4 153.37 10 2 30 1
NPC14594 C10H16O 2-(4-methylcyclohexa-2,4-dien-1-yl)propan-2-ol 152.1201151 1.2721 2.45 2.251 1 1 20.23 1 1 11 0
NPC147594 C11H18O2 hex-3-enyl 2-methylbut-2-enoate 182.1306798 1.2173 2.45 3.21 2 0 26.3 6 0 13 0
NPC148825 C17H34O2 methyl hexadecanoate 270.2558803 -3.6467 3.11 7.891 2 0 26.3 15 0 19 2
NPC152942 C16H18O9 (1R,3R,4S,5S)-3-[(E)-3-(3,4-Dihydroxyphenyl)Prop-2-Enoyl]Oxy-1,4,5-Trihydroxycyclohexane-1-Carboxylic Acid 354.1 -2.1962 2.23 -0.447 7 6 164.75 11 2 25 1
NPC152964 C15H26O (1aR,4R,4aS,7R,7aS,7bS)-1,1,4,7-tetramethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-ol 222.1983655 1.2587 3 5.078 1 1 20.23 0 3 16 1
NPC15336 C25H24O12 (3S,5S)-3,5-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,4-dihydroxycyclohexane-1-carboxylic acid 516.1267762 -2.3865 2.89 1.085 8 7 211.28 9 3 37 1
NPC153439 C15H30O 226.2296656 -3.3358 3 6.697 1 0 17.07 14 0 16 2
NPC153552 C34H58O5 (2S,3R,4S,5R)-2-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-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-yl]oxy]oxane-3,4,5-triol 546.428425 0.0638 4.65 10.73 5 3 79.15 8 5 39 1
NPC153958 C27H56 heptacosane 380.4382018 -7.0974 4.43 15.703 0 0 0 24 0 27 2
NPC154186 C15H30O2 242.2245802 -3.6097 2.89 7.001 2 1 37.3 15 0 17 2
NPC154401 C16H14O9 (4-ethoxycarbonyl-2,6-dihydroxyphenyl) 3,4,5-trihydroxybenzoate 350.063782 -2.131 2.23 0.71 3 5 153.75 6 2 25 0
NPC155182 C15H24 (6Z)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene 204.1878008 4.3258 3.11 5.992 0 0 0 7 0 15 1
NPC156044 C28H35NO13 593.2108402 -3.9139 3 0.611 13 5 216.22 21 3 42 2
NPC156461 C10H13N5O4 Adenosine 267.1 -2.2791 1.57 -1.809 9 4 139.54 6 3 19 0
NPC156654 C7H6O4 Protocatechuic Acid 154.03 -1.1604 1.79 0.536 2 3 77.76 4 1 11 0
NPC156768 C6H8O 96.05751488 -0.3908 2.01 1.873 0 0 13.14 2 1 7 0
NPC157378 C17H20O9 368.1107322 -1.9452 2.34 -0.126 7 5 153.75 6 2 26 0
NPC157781 C15H26O Alpha-Bisabolol 222.2 2.7502 3 4.085 1 1 20.23 9 1 16 0
NPC15789 C11H18O2 182.1306798 1.2173 2.45 3.21 2 0 26.3 9 0 13 0
NPC158537 C21H20O10 5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one 432.1056468 -3.6314 2.67 0.459 6 6 166.14 4 4 31 1
NPC159177 C16H30O2 (Z)-hexadec-11-enoic acid 254.2245802 -1.7667 3 7.054 2 1 37.3 13 0 18 2
NPC15942 C22H24O11 464.1318616 -2.1814 2.67 2.131 8 4 161.21 9 3 33 0
NPC160127 C30H33NO11 583.2053609 -4.4356 3.44 3.663 11 5 189.92 17 4 42 2
NPC160842 C38H40N2O6 620.288637 0.1833 4.76 5.577 2 0 61.86 3 7 46 1
NPC161097 C17H34O2 270.2558803 -3.6467 3.11 7.891 2 0 26.3 17 0 19 2
NPC16157 C15H24O 220.1827154 1.9144 3 4.607 1 0 12.53 0 3 16 0
NPC162656 C16H22O9 (3R,4S,4aR)-4-ethenyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-8-one 358.1263823 -2.4783 2.23 -0.453 9 4 134.91 4 3 25 0
NPC162742 C28H48O 400.3705162 1.9762 4.43 11.026 1 1 20.23 12 4 29 1
NPC162840 C59H96O25 [(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate 1204.624069 -5.2515 5.2 3.676 25 14 392.59 13 10 84 3
NPC163105 C5H6N2O2 126.0429274 -0.2786 1.57 -0.35 2 2 66.24 3 1 9 0
NPC164253 C15H30O2 propan-2-yl dodecanoate 242.2245802 -2.5448 2.89 6.498 2 0 26.3 12 0 17 2
NPC164279 C20H42O 1-decoxydecane 298.323566 -4.6363 3.55 9.548 1 0 9.23 18 0 21 2
NPC164721 C15H24 204.1878008 2.4838 3.11 6.597 0 0 0 0 3 15 1
NPC165 C53H86O22 1074.561074 -4.9378 4.87 2.289 22 13 353.9 12 9 75 3
NPC165525 C10H18O 2-(4-methylidenecyclohexyl)propan-2-ol 154.1357652 0.9756 2.45 2.414 1 1 20.23 1 1 11 0
NPC165589 C34H46O19 methyl (2S,3R,4S)-3-ethenyl-4-[(Z)-3-[(2S,3R,4R)-3-ethenyl-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl]-4-oxobut-2-enyl]-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate 758.2633293 -4.0242 3.11 -1.212 19 8 286.89 16 4 53 3
NPC1656 C10H18O2 2-(5-ethenyl-5-methyloxolan-2-yl)propan-2-ol 170.1306798 0.759 2.34 1.559 2 1 29.46 2 1 12 0
NPC165651 C10H20O 156.1514153 1.4641 2.45 3.286 1 1 20.23 9 0 11 0
NPC16578 C17H34O 254.2609657 -3.9118 3.22 7.835 1 0 17.07 16 0 18 2
NPC166018 C15H20O4 (2E,4E)-5-(1-Hydroxy-2,6,6-Trimethyl-4-Oxocyclohex-2-En-1-Yl)-3-Methylpenta-2,4-Dienoic Acid 264.14 1.783 2.67 0.878 4 2 74.6 9 1 19 0
NPC166294 C4H9NO 87.06841391 -0.4203 1.68 -0.148 2 0 20.31 4 0 6 0
NPC16797 C53H86O21 [(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate 1058.56616 -4.0046 4.98 4.51 21 12 333.67 11 9 74 3
NPC167976 C16H18O9 (1S,3R,4R,5R)-3-[(Z)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid 354.0950822 -2.1962 2.23 -0.447 7 6 164.75 5 2 25 1
NPC168070 C9H11NO 2-(3-ethenylpyridin-4-yl)ethanol 149.084064 0.5144 2.23 1.419 2 1 33.12 3 1 11 0
NPC169038 C17H24O11 404.1318616 -2.3046 2.12 -1.061 11 5 172.21 8 2 28 1
NPC169056 C15H20O4 Abscisic Acid 264.14 1.783 2.67 0.878 4 2 74.6 9 1 19 0
NPC169906 C65H106O32 1398.666721 -8.5891 5.09 -0.554 32 19 512.2 18 11 97 3
NPC170035 C16H18O9 (1R,3R,4S,5R)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexane-1-carboxylic acid 354.0950822 -2.1962 2.23 -0.447 7 6 164.75 5 2 25 1
NPC170425 C34H46O19 methyl (2S,3R,4S)-3-ethenyl-4-[(E)-3-[(2S,3R,4R)-3-ethenyl-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl]-4-oxobut-2-enyl]-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate 758.2633293 -4.0242 3.11 -1.212 19 8 286.89 16 4 53 3
NPC1713 C12H26O (2R)-2-butyloctan-1-ol 186.1983655 -1.869 2.67 5.131 1 1 20.23 9 0 13 1
NPC171590 C9H11N3O2S [(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]thiourea 225.0571976 0.0065 1.79 2.525 3 3 116.5 4 1 15 0
NPC17250 C17H24O10 (4aS,5R,6S)-5-ethenyl-3-methoxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-1-one 388.136947 -2.4095 2.23 -0.469 10 4 144.14 5 3 27 0
NPC172833 C15H24O (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienal 220.1827154 3.7215 3 4.523 1 0 17.07 7 0 16 0
NPC173443 C12H14O2 190.0993797 1.2742 2.56 4.146 2 0 26.3 6 1 14 0
NPC173582 C27H30O15 594.1584703 -5.6787 2.78 -0.654 11 9 245.29 16 5 42 2
NPC173637 C21H20O11 Quercitrin 448.1 -4.3921 2.56 0.349 6 7 186.37 11 4 32 1
NPC174099 C14H18O6 Bis(2-Methoxyethyl) Benzene-1,2-Dicarboxylate 282.11 -0.2394 2.34 1.954 6 0 71.06 12 1 20 0
NPC174213 C28H48O (3S)-17-(5,6-dimethylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol 400.3705162 1.9762 4.43 11.026 1 1 20.23 5 4 29 1
NPC174368 C5H10O2 102.0680796 -0.7297 1.79 1.311 2 1 37.3 5 0 7 0
NPC174679 C41H66O12 Alpha-Hederin 750.46 -1.444 4.65 6.221 12 7 195.6 20 7 53 3
NPC174754 C9H11N3O2S 3-Hydroxy-4-Methoxybenzaldehyde Thiosemicarbazone 225.06 0.0065 1.79 2.525 3 3 116.5 7 1 15 0
NPC17514 C26H33NO11 535.2053609 -4.3315 3 0.709 11 4 178.92 12 3 38 2
NPC175544 C30H18O10 2-[4-[4-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenoxy]phenyl]-5,7-dihydroxychromen-4-one 538.0899968 -3.4628 3.66 3.189 2 5 162.98 4 6 40 0
NPC17567 C25H28O12 520.1580763 -2.5274 2.89 3.004 12 6 192.44 14 4 37 2
NPC175913 C15H26O (1aS,4S,7R,7bR)-1,1,4,7-tetramethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-ol 222.1983655 1.2587 3 5.078 1 1 20.23 0 3 16 1
NPC176740 C27H30O16 Rutin 610.15 -6.139 2.67 -1.188 11 10 265.52 17 5 43 2
NPC177013 C17H26O10 390.152597 -2.9288 2.23 -1.092 10 5 155.14 12 3 27 0
NPC177112 C10H18O 154.1357652 1.1223 2.45 1.947 1 1 20.23 5 1 11 0
NPC17810 C40H56 Beta Carotene 536.44 8.935 5.86 14.734 0 0 0 20 2 40 1
NPC178306 C6H12 1-Hexene 84.09 0.4384 2.12 3.388 0 0 0 4 0 6 0
NPC1786 C9H8O4 180.0422587 -0.7993 2.01 1.141 2 3 77.76 5 1 13 0
NPC178638 C11H18O2 [(1E)-2,6-dimethylhepta-1,5-dienyl] acetate 182.1306798 2.1862 2.45 2.68 2 0 26.3 5 0 13 0
NPC1788 C9H8O4 4-(2-carboxyethenyl)-2-hydroxyphenolate 179.0344337 -1.1331 2.01 1.141 2 2 80.59 2 1 13 0
NPC179695 C24H29NO11 507.1740607 -3.9882 2.78 0.15 11 5 189.92 9 3 36 1
NPC179950 C21H20O12 Isoquercetin 464.1 -4.8921 2.45 -0.354 7 8 206.6 12 4 33 1
NPC180871 C10H18O Linalool 154.14 2.4692 2.45 2.468 1 1 20.23 8 0 11 0
NPC181465 C27H30O15 Nicotifloroside 594.16 -5.6787 2.78 -0.654 11 9 245.29 16 5 42 2
NPC182158 C15H24 204.1878008 2.4838 3.11 6.597 0 0 0 0 3 15 1
NPC182814 C24H29NO11 Lonijaposide O 507.17 -4.4467 2.78 0.398 11 5 189.92 16 3 36 1
NPC182840 C10H18O Nerol 154.14 2.3397 2.45 2.524 1 1 20.23 8 0 11 0
NPC183 C31H20O10 552.1056468 -3.0543 3.77 3.708 10 4 151.98 10 6 41 0
NPC183491 C41H66O12 750.4554276 -0.8533 4.65 6.65 12 7 195.6 6 7 53 3
NPC183950 C16H12O6 Chrysoeriol 300.06 -1.9363 2.56 1.123 1 3 96.22 6 3 22 0
NPC183953 C16H12O6 4-(5,7-dihydroxy-4-oxochromen-2-yl)-2-methoxyphenolate 299.0555631 -2.2701 2.56 1.123 1 2 99.05 2 3 22 0
NPC184416 C15H20O4 5-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methylpenta-2,4-dienoic acid 264.1361591 1.783 2.67 0.878 4 2 74.6 3 1 19 0
NPC185019 C18H34O2 (E)-octadec-13-enoic acid 282.2558803 -2.3427 3.22 8.192 2 1 37.3 15 0 20 2
NPC185189 C19H38O2 methyl octadecanoate 298.2871805 -4.2227 3.33 9.029 2 0 26.3 17 0 21 2
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
NPC185816 C19H38O nonadecan-2-one 282.2922658 -4.4878 3.44 8.973 1 0 17.07 16 0 20 2
NPC186815 C26H32O15 methyl (1S,4aS,5S,6R,7S,7aS)-5-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-6-hydroxy-7-(hydroxymethyl)-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate 584.1741203 -4.7736 2.67 -0.864 13 8 242.13 10 4 41 2
NPC187805 C17H26O9 374.1576824 -2.4609 2.34 -0.697 9 4 127.07 5 3 26 0
NPC187993 C27H46O2 E309 402.35 2.0095 4.21 10.714 0 1 29.46 19 2 29 2
NPC189142 C21H20O11 Galuteolin 448.1 -4.0917 2.56 -0.075 6 7 186.37 11 4 32 1
NPC192977 C30H48O4 (4aS,6aR,6aS,6bR,9R,10S,12aR,14bR)-10-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid 472.35526 1.0391 4.32 8.349 4 3 77.76 2 5 34 1
NPC193454 C12H16O2 (2-methyl-5-propan-2-ylphenyl) acetate 192.1150298 1.1337 2.56 4.296 1 0 26.3 3 1 14 0
NPC193734 C58H111NO16 1077.790286 -14.7585 5.97 14.248 17 12 292.04 48 2 75 4
NPC194586 C15H26O Nerolidiol 222.2 3.7014 3 4.29 1 1 20.23 12 0 16 0
NPC194665 C16H18O8 (1R,3S,4S,5S)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid 338.1001675 -1.7359 2.34 0.298 7 5 144.52 5 2 24 0
NPC195368 C21H32O11 460.1944618 -2.5618 2.56 0.261 11 4 153.37 8 3 32 1
NPC195863 C26H33NO10 methyl (2S)-2-[(3S,4R,4aS)-4-ethenyl-8-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyridin-7-yl]-3-phenylpropanoate 519.2104463 -3.1055 3.11 2.652 11 4 155.22 9 4 37 1
NPC196442 C10H20O2 172.1463299 -1.7463 2.34 3.867 2 0 26.3 10 0 12 0
NPC196776 C30H50 (3R,8R,9R,10S,13R,14R,17R)-17-[(E,2R,5R)-5-ethyl-6-methylhept-3-en-2-yl]-3,10,13-trimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene 410.3912516 2.7031 4.76 13.664 0 0 0 5 4 30 1
NPC196924 C17H34O2 270.2558803 -4.1857 3.11 8.139 2 1 37.3 17 0 19 2
NPC197149 C9H11N3O2S [(3-hydroxy-4-methoxyphenyl)methylideneamino]thiourea 225.0571976 0.0065 1.79 2.525 3 3 116.5 4 1 15 0
NPC197259 C23H27NO11 493.1584107 -4.5427 2.67 -0.128 11 5 189.92 9 3 35 1
NPC197356 C6H12O 100.088815 -0.5056 2.01 1.473 1 1 20.23 5 0 7 0
NPC197467 C17H28O2 264.2089301 3.951 3.11 5.086 2 0 26.3 14 0 19 1
NPC197633 C27H31NO12 561.1846254 -2.4021 3 1.032 13 5 193.8 8 5 40 1
NPC198023 C15H22 202.1721507 2.8428 3.11 7.712 0 0 0 8 1 15 1
NPC198827 C53H86O22 [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(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-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate 1074.561074 -5.0953 4.87 3.378 22 13 353.9 12 9 75 3
NPC199 C52H84O21 1044.55051 -4.5846 4.87 3.621 21 12 333.67 11 9 73 3
NPC199819 C53H86O23 [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate 1090.555989 -5.5953 4.76 2.675 23 14 374.13 13 9 76 3
NPC200819 C16H18O8 (1S,3R,4R,5R)-1,3,4-trihydroxy-5-[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid 338.1001675 -1.7359 2.34 0.298 7 5 144.52 5 2 24 0
NPC200845 C20H34O2 Ethyl (9E,12E,15E)-Octadeca-9,12,15-Trienoate 306.26 0.4035 3.44 8.282 2 0 26.3 17 0 22 2
NPC201844 C12H24O2 Dodecanoate 200.18 -2.7457 2.56 5.294 2 1 37.3 12 0 14 1
NPC205003 C28H48O4 (3S,5S,6S,8R,9S,10R,13S,14S,16S,17R)-16-[(2S,5R)-2,5-dimethyloxan-2-yl]oxy-17-ethyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol 448.35526 -1.0161 4.1 6.402 4 2 58.92 3 5 32 1
NPC20593 C26H32N2O12 564.1955245 -4.8328 2.78 0.279 13 7 234 19 3 40 3
NPC206095 C25H24O12 4,5-Dicaffeoylquinic Acid 516.13 -2.3865 2.89 1.085 8 7 211.28 16 3 37 1
NPC206363 C17H32O2 methyl hexadec-7-enoate 268.2402303 -1.5157 3.11 7.375 2 0 26.3 14 0 19 2
NPC206800 C9H8O2 Cinnamic Acid 148.05 0.1213 2.23 3.904 2 1 37.3 3 1 11 0
NPC20791 C15H10O7 Quercetin 302.04 -2.8012 2.34 1.381 2 5 127.45 6 3 22 0
NPC208075 C8H8O 120.0575149 -0.1576 2.23 3.494 1 0 17.07 2 1 9 0
NPC208470 C27H30O15 594.1584703 -5.3386 2.78 -0.909 10 9 245.29 6 5 42 1
NPC209279 C15H26O 222.1983655 3.7014 3 4.29 1 1 20.23 12 0 16 0
NPC210003 C21H20O10 Apigetrin 432.11 -3.6314 2.67 0.459 6 6 166.14 10 4 31 1
NPC210040 C25H24O12 (3R,5R)-3,5-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,4-dihydroxycyclohexane-1-carboxylic acid 516.1267762 -2.3865 2.89 1.085 8 7 211.28 9 3 37 1
NPC210685 C24H29NO11 507.1740607 -4.2945 2.78 0.03 11 5 189.92 10 3 36 1
NPC211669 C41H66O13 766.4503422 -1.944 4.54 5.518 13 8 215.83 7 7 54 3
NPC212561 C17H34O3 methyl (3S)-3-hydroxyhexadecanoate 286.2507949 -3.8694 3 6.439 3 1 46.53 15 0 20 2
NPC21344 C17H26O10 methyl (1S,4aS,6R,7R,7aS)-6-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate 390.152597 -2.9288 2.23 -1.092 10 5 155.14 5 3 27 0
NPC213908 C34H46O19 758.2633293 -4.0242 3.11 -1.212 19 8 286.89 16 4 53 3
NPC214067 C16H22O4 Bis(2-Methylpropyl) Benzene-1,2-Dicarboxylate 278.15 0.9868 2.78 4.49 4 0 52.6 12 1 20 0
NPC214349 C17H24O10 5-ethenyl-3-methoxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-1-one 388.136947 -2.4095 2.23 -0.469 10 4 144.14 5 3 27 0
NPC214584 C10H18O 154.1357652 1.1223 2.45 2.369 1 1 20.23 5 1 11 0
NPC214909 C15H24 (6E,8S)-1-methyl-5-methylidene-8-propan-2-ylcyclodeca-1,6-diene 204.1878008 2.7967 3.11 6.294 0 0 0 1 1 15 1
NPC216330 C25H24O12 (3R,5R)-1,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-3,5-dihydroxycyclohexane-1-carboxylic acid 516.1267762 -2.3865 2.89 1.085 8 7 211.28 9 3 37 1
NPC216341 C27H30O14 7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)chromen-4-one 578.1635556 -4.8783 2.89 0.054 10 8 225.06 6 5 41 1
NPC216630 C16H32O2 Palmitic Acid 256.24 -3.8977 3 7.57 2 1 37.3 16 0 18 2
NPC217226 C5H4O2 Furfural 96.02 -0.3465 1.79 1.057 1 0 30.21 1 1 7 0
NPC217465 C27H35NO11 butyl 5-[(E)-2-[(2S,3R,4S)-3-ethenyl-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl]ethenyl]pyridine-3-carboxylate 549.2210109 -2.3326 3.11 2.073 12 4 174.1 13 3 39 2
NPC217853 C16H22O11 (2S,3R,4S)-4-(carboxymethyl)-3-ethenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylic acid 390.1162115 -2.5556 2.01 -1.382 11 6 183.21 7 2 27 2
NPC218284 C27H33NO13 579.1951901 -4.3148 2.89 -0.272 13 5 216.22 13 3 41 2
NPC218426 C31H36O15 648.2054205 -4.0779 3.22 0.378 8 7 223.29 14 4 46 2
NPC218445 C30H40O18 (2S,3R,4S)-3-ethenyl-4-[2-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoyl]oxyethyl]-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylic acid 688.2214644 -4.9771 2.78 -0.935 16 9 280.82 14 4 48 3
NPC21855 C59H96O27 1236.613898 -6.8422 4.98 1.412 27 16 433.05 15 10 86 3
NPC218918 C15H24 204.1878008 2.7967 3.11 6.294 0 0 0 4 1 15 1
NPC219313 C11H15N5O4 5'-O-Methyladenosine 281.11 -1.8706 1.68 -1.719 9 3 128.54 7 3 20 0
NPC21932 C24H26O11 490.1475117 -1.8203 2.89 2.736 8 4 161.21 10 3 35 0
NPC219485 C16H30O2 hexadec-11-enoic acid 254.2245802 -1.7667 3 7.054 2 1 37.3 13 0 18 2
NPC219913 C7H6O2 4-Hydroxybenzaldehyde 122.04 -0.6527 2.01 1.484 1 1 37.3 2 1 9 0
NPC219969 C6H6O2 110.0367794 0.093 1.9 1.554 1 0 30.21 2 1 8 0
NPC220011 C26H35NO11 (2S)-2-[2-[(2S,3R,4S)-3-ethenyl-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl]ethylamino]-3-phenylpropanoic acid 537.2210109 -3.1309 3 2.544 12 6 184.24 13 3 38 3
NPC222241 C65H106O32 [3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] 10-[4,5-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate 1398.666721 -8.5891 5.09 0.733 32 19 512.2 18 11 97 3
NPC222959 C17H24O11 (2S,3R,4S)-3-ethenyl-4-(2-methoxy-2-oxoethyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylic acid 404.1318616 -2.3046 2.12 -1.061 11 5 172.21 8 2 28 1
NPC223249 C15H28O2 240.2089301 -3.5007 2.89 6.056 2 0 26.3 0 1 17 1
NPC224389 C25H24O12 3,4-Dicaffeoylquinic Acid 516.13 -2.3865 2.89 1.085 8 7 211.28 16 3 37 1
NPC225665 C15H20O4 (+)-Abscisic Acid 264.14 1.783 2.67 0.878 4 2 74.6 9 1 19 0
NPC225710 C7H6O5 Gallic Acid 170.02 -1.6207 1.68 0.002 2 4 97.99 5 1 12 0
NPC225879 C16H22O11 390.1162115 -2.5556 2.01 -1.382 11 6 183.21 7 2 27 2
NPC225953 C18H34 octadec-1-yne 250.2660511 -3.1534 3.44 9.447 0 0 0 14 0 18 2
NPC226250 C10H10O4 Methylcaffeate 194.06 -0.5483 2.12 1.462 2 2 66.76 6 1 14 0
NPC226511 C8H14O2 142.0993797 -0.1265 2.12 2.213 2 0 26.3 7 0 10 0
NPC226568 C18H36O2 methyl 15-methylhexadecanoate 284.2715304 -2.2935 3.22 8.399 2 0 26.3 15 0 20 2
NPC227211 C8H8O4 4-carboxy-2-methoxyphenolate 167.0344337 -1.0857 1.9 0.626 2 1 69.59 2 1 12 0
NPC227250 C13H25NO4 3-hexanoyloxy-4-(trimethylazaniumyl)butanoate 259.1783583 -2.9276 2.34 0.959 4 0 66.43 10 0 18 0
NPC228329 C33H46O19 methyl (1S,4aS,6S,7R,7aS)-1-[(2S,3R,4S,5S,6R)-6-[[(3R,4aS,5R,6S)-5-ethenyl-1-oxo-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate 746.2633293 -4.9803 3 -1.491 19 8 279.05 11 6 52 3
NPC229199 C7H7N 3-ethenylpyridine 105.0578492 0.7075 2.12 2.081 1 0 12.89 1 1 8 0
NPC230035 C52H84O21 [(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate 1044.55051 -4.5846 4.87 3.621 21 12 333.67 11 9 73 3
NPC23071 C5H12O 88.088815 -0.552 1.9 1.148 1 1 20.23 5 0 6 0
NPC23145 C15H24 204.1878008 2.1549 3.11 6.544 0 0 0 3 3 15 1
NPC231710 C17H26O11 406.1475117 -3.5764 2.12 -1.34 11 5 164.37 12 3 28 1
NPC232574 C31H20O10 2-[4-[4-(5,7-dihydroxy-4-oxochromen-2-yl)-2-methoxyphenoxy]phenyl]-5,7-dihydroxychromen-4-one 552.1056468 -3.0543 3.77 3.708 2 4 151.98 5 6 41 0
NPC232954 C17H24O11 2-[(2S,3R,4S)-3-ethenyl-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl]acetic acid 404.1318616 -2.3046 2.12 -1.061 11 5 172.21 8 2 28 1
NPC233646 C24H29NO11 methyl 5-[(E)-2-[(2S,3R,4S)-3-ethenyl-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl]ethenyl]pyridine-3-carboxylate 507.1740607 -1.7172 2.78 0.723 12 4 174.1 10 3 36 1
NPC234030 C47H76O17 912.508251 -3.1909 4.76 4.255 17 10 274.75 9 8 64 2
NPC236219 C53H86O21 1058.56616 -4.0046 4.98 4.51 21 12 333.67 11 9 74 3
NPC236579 C18H36O2 284.2715304 -3.3963 3.22 8.314 2 0 26.3 18 0 20 2
NPC238723 C13H22O (E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-ol 194.1670653 2.1533 2.78 4.271 1 1 20.23 2 1 14 0
NPC239037 C15H26O 1,1,4,7-tetramethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-ol 222.1983655 1.2587 3 5.078 1 1 20.23 0 3 16 1
NPC240817 C15H22 1-methyl-4-(6-methylhept-5-en-2-yl)benzene 202.1721507 2.8428 3.11 7.712 0 0 0 4 1 15 1
NPC240971 C54H86O22 [(2S,3R,4S,5S,6R)-6-[[(2S,3R,4S,5R)-4-acetyloxy-3,5-dihydroxyoxan-2-yl]oxymethyl]-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate 1086.561074 -4.2055 4.98 3.503 22 11 339.74 13 9 76 3
NPC24146 C25H24O12 3,5-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,4-dihydroxycyclohexane-1-carboxylic acid 516.1267762 -2.3865 2.89 1.085 8 7 211.28 9 3 37 1
NPC241784 C10H16 136.1252005 1.5162 2.56 4.177 0 0 0 3 1 10 0
NPC242475 C16H18O9 (1S,3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid 354.0950822 -2.1962 2.23 -0.447 7 6 164.75 5 2 25 1
NPC242530 C17H32O2 methyl (E)-hexadec-7-enoate 268.2402303 -1.5157 3.11 7.375 2 0 26.3 14 0 19 2
NPC243299 C52H84O21 1044.55051 -4.5846 4.87 3.621 21 12 333.67 11 9 73 3
NPC243728 C35H60O6 Daucosterol 576.44 -0.4469 4.65 10.487 6 4 99.38 19 5 41 1
NPC244640 C28H40O6 472.282489 -0.1536 3.88 7.966 3 4 115.06 16 4 34 1
NPC24824 C10H20O Citronellol 156.15 1.4641 2.45 3.286 1 1 20.23 9 0 11 0
NPC248726 C15H24 7,11-dimethyl-3-methylidenedodeca-1,6,10-triene 204.1878008 4.3258 3.11 5.992 0 0 0 7 0 15 1
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
NPC249815 C15H24 1,1,7-trimethyl-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene 204.1878008 2.1549 3.11 6.544 0 0 0 0 3 15 1
NPC251551 C59H96O27 [(3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate 1236.613898 -6.8422 4.98 1.412 27 16 433.05 15 10 86 3
NPC25230 C7H12O hept-1-en-2-olate 112.088815 -1.1418 2.12 2.591 1 0 23.06 4 0 8 0
NPC25442 C28H35NO13 593.2108402 -4.8411 3 0.859 13 6 227.22 21 3 42 3
NPC254861 C25H31NO11 521.1897108 -3.7372 2.89 0.471 11 4 178.92 10 3 37 1
NPC255042 C10H18O Geraniol 154.14 2.3397 2.45 2.524 1 1 20.23 8 0 11 0
NPC257124 C10H12O2 Eugenol 164.08 0.5166 2.34 2.484 0 1 29.46 5 1 12 0
NPC25771 C10H14O 150.1044651 2.0291 2.45 1.529 1 0 17.07 3 1 11 0
NPC257941 C11H20O2 hexyl (E)-2-methylbut-2-enoate 184.1463299 0.1735 2.45 3.726 2 0 26.3 7 0 13 0
NPC258978 C58H94O25 [(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(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-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate 1190.608419 -5.8315 5.09 2.787 25 14 392.59 13 10 83 3
NPC259147 C47H76O17 912.508251 -2.7577 4.76 5.344 17 10 274.75 9 8 64 3
NPC261022 C40H62 (6E,10E,12E,14E,16Z,18E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,22,26,30-decaene 542.485152 11.1232 5.86 14.712 0 0 0 19 0 40 2
NPC26229 C31H64 436.500802 -8.2494 4.87 17.979 0 0 0 30 0 31 2
NPC264711 C30H48O3 (10R)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid 456.3603454 1.4838 4.43 8.954 3 2 57.53 1 5 33 1
NPC26474 C10H18O2 2-[(2R,5R)-5-ethenyl-5-methyloxolan-2-yl]propan-2-ol 170.1306798 0.759 2.34 1.559 2 1 29.46 2 1 12 0
NPC265885 C27H30O15 5,7-Dihydroxy-2-(4-Hydroxyphenyl)-3-[3,4,5-Trihydroxy-6-[(3,4,5-Trihydroxy-6-Methyloxan-2-Yl)Oxymethyl]Oxan-2-Yl]Oxychromen-4-One 594.16 -5.6787 2.78 -0.654 11 9 245.29 16 5 42 2
NPC26628 C12H22O2 [(3S)-3,7-dimethyloct-6-enyl] acetate 198.1619799 1.8432 2.56 4.026 2 0 26.3 7 0 14 0
NPC2665 C17H26O10 methyl (1S,4aS,6S,7R,7aS)-6-hydroxy-7-methyl-1-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate 390.152597 -2.9288 2.23 -1.092 10 5 155.14 5 3 27 0
NPC267296 C40H56 2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-1,3,3-trimethylcyclohexene 536.4382018 10.2538 5.86 14.66 0 0 0 13 1 40 2
NPC26906 C10H18O 2-(4-Methylcyclohex-3-En-1-Yl)Propan-2-Ol 154.14 1.1223 2.45 2.369 1 1 20.23 5 1 11 0
NPC26974 C29H60 408.4695019 -7.6734 4.65 16.841 0 0 0 28 0 29 2
NPC270264 C11H18O2 [(Z)-hex-3-enyl] (Z)-2-methylbut-2-enoate 182.1306798 1.2173 2.45 3.21 2 0 26.3 6 0 13 0
NPC270768 C30H48O4 Hederagenin 472.36 1.0391 4.32 8.349 4 3 77.76 11 5 34 1
NPC271027 C16H22O4 dibutyl benzene-1,2-dicarboxylate 278.1518092 -1.2084 2.78 5.034 4 0 52.6 10 1 20 1
NPC271087 C15H26O 6-methyl-2-(4-methylcyclohex-3-en-1-yl)hept-5-en-2-ol 222.1983655 2.7502 3 4.085 1 1 20.23 4 1 16 0
NPC271218 C16H24O13S 456.0937618 -3.5082 1.68 -2.706 13 7 228.89 8 2 30 2
NPC27184 C10H18O 2-[(1R)-4-methylcyclohex-3-en-1-yl]propan-2-ol 154.1357652 1.1223 2.45 2.369 1 1 20.23 1 1 11 0
NPC272037 C65H106O32 [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-4,5-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate 1398.666721 -8.5891 5.09 0.733 32 19 512.2 18 11 97 3
NPC272076 C17H34O3 methyl 3-hydroxyhexadecanoate 286.2507949 -3.8694 3 6.439 3 1 46.53 15 0 20 2
NPC272998 C20H42O 298.323566 -5.5814 3.55 9.955 1 1 20.23 20 0 21 2
NPC273620 C16H26O2 [(6Z)-3,11-dimethyldodeca-1,6,10-trien-3-yl] acetate 250.1932801 3.8273 3 4.968 2 0 26.3 9 0 18 0
NPC273654 C47H76O17 (6aS,9R)-9-[[(2R,3R,4S,5R,6R)-4-[(2S,3R,4R,5S,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-10-hydroxy-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid 912.508251 -3.1909 4.76 4.255 17 10 274.75 9 8 64 2
NPC274885 C53H86O21 [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(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-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate 1058.56616 -4.0046 4.98 4.51 21 12 333.67 11 9 74 3
NPC275462 C6H14O 1-Hexanol 102.1 -1.5494 2.01 1.989 1 1 20.23 6 0 7 0
NPC276121 C41H66O12 750.4554276 -1.444 4.65 6.221 12 7 195.6 6 7 53 3
NPC276931 C16H24O10 (1S,4aS,6S,7R,7aS)-6-hydroxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate 375.1291219 -3.8576 2.12 -1.894 10 5 168.97 4 3 26 0
NPC277032 C16H14O7 318.0739528 -2.5842 2.45 -0.232 2 4 116.45 7 3 23 0
NPC277907 C15H26O (3S,6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol 222.1983655 3.7014 3 4.29 1 1 20.23 7 0 16 0
NPC27802 C7H9N 107.0734993 0.3069 2.12 2.081 1 0 12.89 2 1 8 0
NPC278068 C16H18O9 354.0950822 -2.1962 2.23 -0.447 7 6 164.75 11 2 25 1
NPC278112 C7H8O phenylmethanol 108.0575149 -0.4487 2.12 2.409 1 1 20.23 1 1 8 0
NPC279026 C10H20O2 Decanoic Acid 172.15 -2.1697 2.34 4.156 2 1 37.3 10 0 12 0
NPC279120 C15H10O6 4-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenolate 285.039913 -2.6786 2.45 1.033 1 3 110.05 1 3 21 0
NPC279121 C15H10O6 Luteolin 286.05 -2.3448 2.45 1.033 1 4 107.22 5 3 21 0
NPC281131 C21H20O12 Hyperoside 464.1 -4.8921 2.45 -0.354 7 8 206.6 12 4 33 1
NPC28198 C35H56O8 Delta-Hederin 604.4 -0.1971 4.43 7.055 8 5 136.68 15 6 43 1
NPC282243 C25H30O13 538.168641 -3.3399 2.78 -0.324 9 7 204.83 11 3 38 2
NPC283178 C11H16O 3-methyl-2-[(E)-pent-2-enyl]cyclopent-2-en-1-one 164.1201151 1.1043 2.56 2.324 1 0 17.07 3 1 12 0
NPC283408 C10H16 2-methyl-6-methylideneocta-1,7-diene 136.1252005 2.2101 2.56 4.215 0 0 0 5 0 10 0
NPC283682 C8H18O 2-Ethylhexan-1-Ol 130.14 -1.2606 2.23 2.855 1 1 20.23 8 0 9 0
NPC284295 C17H28O2 [(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl] acetate 264.2089301 4.0805 3.11 5.03 2 0 26.3 9 0 19 1
NPC285620 C65H106O32 1398.666721 -8.5891 5.09 -0.554 32 19 512.2 18 11 97 3
NPC28598 C16H32O2 256.2402303 -3.3587 3 7.322 2 0 26.3 16 0 18 2
NPC287144 C55H88O23 [(2S,3R,4S,5S,6R)-6-[[(2S,3R,4S,5R)-4-acetyloxy-3,5-dihydroxyoxan-2-yl]oxymethyl]-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate 1116.571639 -4.7162 4.98 3.26 23 12 359.97 14 9 78 3
NPC287335 C15H24 (1aS,4aS,7aS,7bR)-1,1,7-trimethyl-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene 204.1878008 2.1549 3.11 6.544 0 0 0 0 3 15 1
NPC287539 C16H24O10 376.136947 -3.1798 2.12 -1.413 10 6 166.14 11 3 26 1
NPC288537 C30H48O3 (1S,2R,4aR,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid 456.3603454 1.4838 4.43 8.954 3 2 57.53 1 5 33 1
NPC288932 C15H24 (6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene 204.1878008 4.3258 3.11 5.992 0 0 0 7 0 15 1
NPC289415 C25H28O12 520.1580763 -2.5274 2.89 2.575 12 6 192.44 13 4 37 2
NPC290189 C15H24 (1Z)-1-methyl-5-methylidene-8-propan-2-ylcyclodeca-1,6-diene 204.1878008 2.7967 3.11 6.294 0 0 0 1 1 15 1
NPC29091 C15H26O 222.1983655 3.5719 3 4.346 1 1 20.23 12 0 16 0
NPC291724 C12H22O2 198.1619799 1.0354 2.56 3.951 2 0 26.3 7 1 14 0
NPC292764 C34H46O19 methyl (2S,3R,4S)-3-ethenyl-4-[(Z)-3-[(2S,3R,4S)-3-ethenyl-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl]-4-oxobut-2-enyl]-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate 758.2633293 -4.0242 3.11 -1.212 19 8 286.89 16 4 53 3
NPC29314 C21H32O11 460.1944618 -2.5618 2.56 0.261 11 4 153.37 8 3 32 1
NPC294185 C40H60 (6E,10E,12E,14E,16E,18E,20E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,20,22,26,30-undecaene 540.4695019 11.273 5.86 14.67 0 0 0 18 0 40 2
NPC294548 C18H30O2 Linolenic Acid 278.22 -0.0979 3.22 7.538 2 1 37.3 15 0 20 2
NPC294902 C9H8O4 Caffeic Acid 180.04 -0.7993 2.01 1.141 2 3 77.76 5 1 13 0
NPC295371 C47H76O18 [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate 928.5031656 -3.8484 4.65 4.212 18 11 294.98 10 8 65 2
NPC295492 C17H20O9 Chlorogenic Acid Methyl Ester 368.11 -1.9452 2.34 -0.126 7 5 153.75 12 2 26 0
NPC295777 C13H20O 192.1514153 1.5768 2.78 3.65 1 0 17.07 6 1 14 0
NPC297517 C25H24O12 516.1267762 -2.3865 2.89 1.085 12 7 211.28 16 3 37 1
NPC300412 C18H26O11 418.1475117 -2.0536 2.23 -0.74 11 4 161.21 9 2 29 1
NPC300498 C17H24O10 388.136947 -2.4095 2.23 -0.469 10 4 144.14 5 3 27 0
NPC300623 C15H26O (2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol 222.1983655 3.5719 3 4.346 1 1 20.23 7 0 16 0
NPC300649 C15H24 (1E)-1-methyl-5-methylidene-8-propan-2-ylcyclodeca-1,6-diene 204.1878008 2.7967 3.11 6.294 0 0 0 1 1 15 1
NPC301049 C65H106O32 [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (4aS,6aR,6aS,6bR,12aR,14bR)-10-[(2S,3R,4S,5S)-4,5-bis[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate 1398.666721 -8.5891 5.09 0.733 32 19 512.2 18 11 97 3
NPC301585 C14H28O2 Myristic Acid 228.21 -3.3217 2.78 6.432 2 1 37.3 14 0 16 2
NPC302857 C16H18O9 Chlorogenic Acid 354.1 -2.1962 2.23 -0.447 7 6 164.75 11 2 25 1
NPC302989 C20H22O9 406.1263823 -2.747 2.67 3.211 7 5 145.91 12 3 29 0
NPC303044 C47H76O17 [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(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-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate 912.508251 -3.3484 4.76 4.915 17 10 274.75 9 8 64 2
NPC304309 C28H48O 400.3705162 1.9762 4.43 11.026 1 1 20.23 12 4 29 1
NPC305162 C24H28O10 476.1682471 -3.4995 3 2.646 10 5 155.14 10 5 34 0
NPC305660 C15H30O2 242.2245802 -3.0707 2.89 6.753 2 0 26.3 15 0 17 2
NPC30594 C12H12O2 Z-Butylidenephthalide 188.08 -0.0512 2.56 4.128 2 0 26.3 3 2 14 0
NPC306443 C25H31NO10 (2S)-2-[(3S,4R,4aS)-4-ethenyl-8-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyridin-7-yl]-3-phenylpropanoic acid 505.1947962 -3.3565 3 2.331 11 5 166.22 8 4 36 1
NPC307176 C21H30O2 Progesterone 314.22 0.9172 3.55 4.826 2 0 34.14 4 4 23 0
NPC307699 C16H22O9 Sweroside 358.13 -2.4783 2.23 -0.453 9 4 134.91 8 3 25 0
NPC308002 C33H46O19 746.2633293 -4.9803 3 -1.491 19 8 279.05 11 6 52 3
NPC308749 C22H46 docosane 310.3599515 -5.6574 3.88 12.858 0 0 0 19 0 22 2
NPC309355 C25H24O12 (1R,3S,4S,5S)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylic acid 516.1267762 -2.3865 2.89 1.085 8 7 211.28 9 3 37 1
NPC30973 C53H86O22 1074.561074 -5.0953 4.87 3.378 22 13 353.9 12 9 75 3
NPC31027 C26H32O14 568.1792057 -3.3917 2.78 -0.768 9 7 214.06 12 3 40 2
NPC310746 C21H40O2 324.3028305 -3.6059 3.55 9.644 2 0 26.3 20 0 23 2
NPC310820 C6H10O (Z)-hex-2-enal 98.07316494 0.1876 2.01 1.85 1 0 17.07 3 0 7 0
NPC311082 C25H24O12 (1R,3R,4S,5R)-3,4-bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,5-dihydroxycyclohexane-1-carboxylic acid 516.1267762 -2.3865 2.89 1.085 8 7 211.28 9 3 37 1
NPC311423 C17H26O9 374.1576824 -2.4609 2.34 -0.697 9 4 127.07 5 3 26 0
NPC312132 C10H14O Carvacrol 150.1 0.7546 2.45 3.556 0 1 20.23 5 1 11 0
NPC312137 C17H24O10 methyl (2S,3R,4S)-3-ethenyl-4-(2-oxoethyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate 388.136947 -2.2572 2.23 -0.647 10 4 151.98 8 2 27 0
NPC3165 C15H20O4 (2Z,4E)-5-[(1R)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid 264.1361591 1.783 2.67 0.878 4 2 74.6 3 1 19 0
NPC317672 C26H31NO13 565.18 -4.8223 2.78 -0.375 13 6 227.22 19 3 40 3
NPC318020 C23H27NO11 493.16 -4.5427 2.67 -0.128 11 5 189.92 15 3 35 1
NPC319995 C25H28O12 520.16 -2.5274 2.89 2.575 12 6 192.44 13 4 37 2
NPC320748 C24H29NO11 507.17 -3.9876 2.78 0.048 11 4 178.92 16 3 36 1
NPC32098 C12H12O2 3-butylidene-2-benzofuran-1-one 188.0837296 -0.0512 2.56 4.128 2 0 26.3 2 2 14 0
NPC322043 C25H31NO11 521.19 -4.5825 2.89 0.388 11 5 189.92 17 3 37 2
NPC32279 C7H14O Heptanal 114.1 -1.2583 2.12 2.863 1 0 17.07 6 0 8 0
NPC324245 C25H31NO11 521.19 -3.7372 2.89 0.471 11 4 178.92 17 3 37 1
NPC32451 C27H33NO13 579.1951901 -4.5713 2.89 -0.054 13 5 216.22 20 3 41 2
NPC325093 C23H29NO10 479.18 -4.5382 2.78 -0.219 10 5 172.85 15 3 34 0
NPC325775 C26H33NO11 535.21 -4.3315 3 0.709 11 4 178.92 18 3 38 2
NPC327373 C24H29NO11 507.17 -4.2945 2.78 0.03 11 5 189.92 16 3 36 1
NPC328559 C27H33NO13 579.2 -4.3148 2.89 -0.272 13 5 216.22 20 3 41 2
NPC328798 C24H32NO10.ClH 494.2 -3.6094 2.89 0.583 10 5 159.02 16 3 35 0
NPC329024 C24H29NO11 507.17 -3.9882 2.78 0.15 11 5 189.92 16 3 36 1
NPC32977 C9H8O3 164.0473441 -0.339 2.12 1.886 2 2 57.53 4 1 12 0
NPC33318 C10H14O 2-but-2-enyl-3-methylcyclopent-2-en-1-one 150.1044651 1.7805 2.45 1.86 1 0 17.07 2 1 11 0
NPC34355 C54H88O23 [(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate 1104.571639 -5.606 4.87 3.135 23 14 374.13 13 9 77 3
NPC3488 C16H24O10 376.136947 -3.1798 2.12 -1.413 10 6 166.14 11 3 26 1
NPC35185 C17H26O10 390.152597 -2.9288 2.23 -1.092 10 5 155.14 12 3 27 0
NPC35519 C15H26O 222.1983655 2.7502 3 4.085 1 1 20.23 9 1 16 0
NPC36130 C21H22O10 434.1212969 -2.1296 2.67 2.575 10 4 151.98 13 3 31 0
NPC36462 C59H96O27 [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] 10-[(2S,3R,4S,5R)-3-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate 1236.613898 -6.8422 4.98 1.412 27 16 433.05 15 10 86 3
NPC37111 C31H20O9 536.1107322 -2.3605 3.88 4.475 2 4 142.75 4 6 40 0
NPC37250 C16H18O9 354.0950822 -2.1962 2.23 -0.447 7 6 164.75 11 2 25 1
NPC37331 C25H24O12 1,5-O-Trans-Dicaffeoylquinic Acid 516.13 -2.3865 2.89 1.514 8 7 211.28 16 3 37 1
NPC37622 C12H12O2 (E)-Butylidenephthalide 188.08 -0.0512 2.56 4.128 2 0 26.3 3 2 14 0
NPC39360 C21H20O10 432.1056468 -3.6314 2.67 0.459 10 6 166.14 10 4 31 1
NPC39927 C6H7O6P (5-formylfuran-3-yl)methyl phosphate 203.9823745 -2.0866 1.35 -1.192 5 0 112.44 4 1 13 0
NPC40965 C8H16O2 144.1150298 -1.1703 2.12 2.729 2 0 26.3 8 0 10 0
NPC41681 C21H28O12 472.1580763 -3.2373 2.45 -0.491 12 4 170.44 13 4 33 1
NPC42211 C15H14O2 226.0993797 0.1761 2.89 6.675 2 0 26.3 5 2 17 1
NPC42471 C9H14O 138.1044651 -0.7112 2.34 3.58 0 0 13.14 5 1 10 0
NPC43114 C15H24 (1Z,6Z)-1-methyl-5-methylidene-8-propan-2-ylcyclodeca-1,6-diene 204.1878008 2.7967 3.11 6.294 0 0 0 1 1 15 1
NPC43158 C26H26O12 Macrathoin F 530.14 -2.1355 3 1.406 8 6 200.28 17 3 38 1
NPC43462 C16H22O9 358.1263823 -2.4783 2.23 -0.453 9 4 134.91 4 3 25 0
NPC43728 C15H26O (3R,6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol 222.1983655 3.7014 3 4.29 1 1 20.23 7 0 16 0
NPC43885 C25H50O2 methyl tetracosanoate 382.3810808 -5.9507 3.99 12.443 2 0 26.3 23 0 27 2
NPC4452 C58H94O25 1190.608419 -5.8315 5.09 2.787 25 14 392.59 13 10 83 3
NPC44560 C16H18O9 (1S,3S,4R,5S)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid 354.0950822 -2.1962 2.23 -0.447 7 6 164.75 5 2 25 1
NPC44840 C19H30O11 methyl (2S,3R,4S)-4-(2,2-dimethoxyethyl)-3-ethenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate 434.1788118 -2.359 2.34 -0.449 11 4 153.37 10 2 30 1
NPC45338 C25H31NO11 521.1897108 -4.5825 2.89 0.388 11 5 189.92 11 3 37 2
NPC45561 C9H10O 2,4-dimethylbenzaldehyde 134.0731649 1.0916 2.34 3.726 1 0 17.07 1 1 10 0
NPC45613 C8H4O3 Phthalic Anhydride 148.02 -0.2146 2.01 1.963 3 0 43.37 0 2 11 0
NPC4856 C53H86O22 [(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate 1074.561074 -5.0953 4.87 3.378 22 13 353.9 12 9 75 3
NPC4891 C16H30O2 (E)-hexadec-11-enoic acid 254.2245802 -1.7667 3 7.054 2 1 37.3 13 0 18 2
NPC4899 C17H26O10 390.152597 -2.9288 2.23 -1.092 10 5 155.14 12 3 27 0
NPC49074 C17H24O9 Syringin 372.14 -2.2917 2.34 -0.417 6 5 138.07 14 2 26 0
NPC49615 C16H32O 240.2453156 -3.8503 3.11 7.984 1 0 17.07 15 0 17 2
NPC50266 C8H7N 117.0578492 0.0695 2.23 3.191 1 0 23.79 1 1 9 0
NPC50898 C15H10O5 Apigenin 270.05 -1.8845 2.56 1.567 1 3 86.99 4 3 20 0
NPC50997 C30H33NO11 Lonijaposide R 583.21 -4.4356 3.44 3.663 11 5 189.92 17 4 42 2
NPC51189 C15H24 (1E,6E)-1-methyl-5-methylidene-8-propan-2-ylcyclodeca-1,6-diene 204.1878008 2.7967 3.11 6.294 0 0 0 1 1 15 1
NPC51700 C30H48O3 Ursolic Acid 456.36 1.4838 4.43 8.954 3 2 57.53 10 5 33 1
NPC51758 C15H26O Nerolidol 222.2 3.7014 3 4.29 1 1 20.23 12 0 16 0
NPC5208 C16H24O8 344.1471177 -2.5297 2.34 -0.681 8 4 117.84 4 3 24 0
NPC52903 C17H24O11 2-[(2S)-3-ethenyl-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl]acetic acid 404.1318616 -2.3046 2.12 -1.061 11 5 172.21 8 2 28 1
NPC52908 C16H23NO11S 437.0991816 -3.4448 1.79 -1.933 12 6 203.95 5 3 29 2
NPC54045 C34H46O19 758.2633293 -4.0242 3.11 -1.212 19 8 286.89 16 4 53 3
NPC5685 C24H29NO11 507.1740607 -3.9876 2.78 0.048 11 4 178.92 9 3 36 1
NPC57121 C26H26O11 (1R,3R,4R,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-5-hydroxy-1-methylcyclohexane-1-carboxylic acid 514.1475117 -1.7555 3.11 2.233 7 6 191.05 9 3 37 1
NPC57853 C17H24O10 (3R,4aS,5R,6S)-5-ethenyl-3-methoxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-1-one 388.136947 -2.4095 2.23 -0.469 10 4 144.14 5 3 27 0
NPC58068 C24H32NO10 494.2026212 -3.6094 2.89 0.583 10 5 159.02 10 3 35 0
NPC58478 C19H34O2 methyl (9E,12E)-octadeca-9,12-dienoate 294.2558803 -0.6975 3.33 8.186 2 0 26.3 15 0 21 2
NPC59033 C24H29NO12 523.1689754 -4.778 2.67 -0.982 12 6 210.15 17 3 37 2
NPC59581 C6H12O 100.088815 -0.9703 2.01 2.294 1 0 17.07 5 0 7 0
NPC59804 C41H66O13 766.4503422 -1.944 4.54 5.518 13 8 215.83 21 7 54 3
NPC61198 C10H13N5O5 Guanosine 283.09 -2.2152 1.46 -1.643 10 6 156.21 6 3 20 1
NPC61201 C20H28O11 444.1631617 -1.6824 2.45 -0.03 11 4 161.21 16 2 31 1
NPC63121 C6H12O 100.088815 -0.5056 2.01 1.473 1 1 20.23 5 0 7 0
NPC63159 C53H86O22 [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate 1074.561074 -4.5046 4.87 3.807 22 13 353.9 12 9 75 3
NPC64434 C28H48O 17-(5,6-dimethylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol 400.3705162 1.9762 4.43 11.026 1 1 20.23 5 4 29 1
NPC64548 C53H86O22 1074.561074 -4.5046 4.87 3.807 22 13 353.9 12 9 75 3
NPC65003 C27H30O14 578.1635556 -4.8783 2.89 -0.375 10 8 225.06 15 5 41 1
NPC66001 C53H86O22 1074.561074 -5.0953 4.87 3.378 22 13 353.9 12 9 75 3
NPC66356 C55H88O23 [(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5R)-5-acetyloxy-3,4-dihydroxyoxan-2-yl]oxymethyl]-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate 1116.571639 -4.7162 4.98 3.689 23 12 359.97 14 9 78 3
NPC66624 C7H14O 114.1044651 -1.0318 2.12 2.145 1 0 17.07 6 0 8 0
NPC66655 C7H8O Benzyl Alcohol 108.06 -0.4487 2.12 2.409 1 1 20.23 2 1 8 0
NPC66681 C13H22O (5E)-6,10-dimethylundeca-5,9-dien-2-one 194.1670653 2.8249 2.78 3.618 1 0 17.07 6 0 14 0
NPC67761 C15H26O 222.1983655 3.7014 3 4.29 1 1 20.23 12 0 16 0
NPC68517 C16H18O8 338.1001675 -1.7359 2.34 0.298 7 5 144.52 10 2 24 0
NPC68641 C15H22O3 2-(2-ethylhexoxy)benzoate 249.1490695 -1.872 2.78 5.227 2 0 49.36 8 1 18 1
NPC68874 C2H4O2 acetate 59.01330434 -0.9077 1.46 -0.561 2 0 40.13 0 0 4 0
NPC68889 C10H18O Linalool (+) 154.14 2.4692 2.45 2.468 1 1 20.23 8 0 11 0
NPC70744 C10H10O4 Ferulic Acid 194.06 -0.3908 2.12 1.231 2 2 66.76 6 1 14 0
NPC71506 C10H18O 154.1357652 1.1223 2.45 1.947 1 1 20.23 5 1 11 0
NPC71852 C35H46O17 methyl (2S,3R,4S)-3-ethenyl-4-[(E)-4-oxo-4-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2-methoxy-4-prop-2-enylphenoxy)oxan-2-yl]methoxy]but-1-enyl]-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate 738.2735 -2.5547 3.44 1.416 15 7 249.59 17 4 52 3
NPC72977 C15H22O3 Octisalate 250.16 -1.3517 2.78 5.939 2 1 46.53 11 1 18 1
NPC7491 C15H24O 220.18 1.9144 3 4.607 1 0 12.53 3 3 16 0
NPC75204 C6H10O 98.07316494 0.1876 2.01 1.85 1 0 17.07 4 0 7 0
NPC75355 C17H24O10 (3S,4aS,5R,6S)-5-ethenyl-3-methoxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-1-one 388.136947 -2.4095 2.23 -0.469 10 4 144.14 5 3 27 0
NPC77294 C22H30ClN3 371.2128256 0.4835 3.44 5.843 3 1 27.63 13 2 26 1
NPC7777 C12H22 166.1721507 -1.3178 2.78 6.366 0 0 0 1 2 12 1
NPC78500 C7H6O Benzaldehyde 106.04 -0.1924 2.12 3.08 1 0 17.07 1 1 8 0
NPC78540 C15H10O4 Chrysin 254.06 -1.4242 2.67 3.163 1 2 66.76 3 3 19 0
NPC78551 C10H16 136.1252005 1.3695 2.56 4.222 0 0 0 2 1 10 0
NPC78750 C21H32O11 methyl (2S,3R,4S)-4-[[(4R,5S)-4,5-dimethyl-1,3-dioxolan-2-yl]methyl]-3-ethenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate 460.1944618 -2.5618 2.56 0.261 11 4 153.37 8 3 32 1
NPC79223 C25H31NO12 537.1846254 -4.527 2.78 -0.661 12 5 199.15 18 3 38 2
NPC79482 C5H12O (2S)-2-methylbutan-1-ol 88.088815 -0.552 1.9 1.148 1 1 20.23 2 0 6 0
NPC80090 C15H26O (1aS,4S,4aR,7S,7aR,7bR)-1,1,4,7-tetramethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-ol 222.1983655 1.2587 3 5.078 1 1 20.23 0 3 16 1
NPC81010 C9H8O3 Coumaric Acid 164.05 -0.339 2.12 1.886 2 2 57.53 4 1 12 0
NPC81775 C16H18O9 3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid 354.0950822 -2.1962 2.23 -0.447 7 6 164.75 5 2 25 1
NPC82107 C5H10O2 2-methylbutanoic acid 102.0680796 -0.1817 1.79 1.035 2 1 37.3 2 0 7 0
NPC82295 C8H7N Indole 117.06 -0.4204 2.23 2.45 1 1 15.79 0 2 9 0
NPC83470 C15H30O (Z)-3,7,11-trimethyldodec-6-en-1-ol 226.2296656 1.425 3 5.965 1 1 20.23 9 0 16 1
NPC83975 C13H16O9 316.0794321 -2.9073 1.9 -0.018 7 6 156.91 10 2 22 1
NPC83987 C5H5N Pyridine 79.04 0 1.9 1.4 1 0 12.89 0 1 6 0
NPC85473 C21H20O10 5-hydroxy-2-(4-hydroxyphenyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one 432.1056468 -3.6314 2.67 0.459 6 6 166.14 4 4 31 1
NPC85550 C21H20O11 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one 448.1005615 -4.0917 2.56 -0.075 6 7 186.37 4 4 32 1
NPC85813 C18H32O2 Linoleic Acid 280.24 -0.9485 3.22 7.865 2 1 37.3 16 0 20 2
NPC869 C47H76O18 928.5031656 -3.8484 4.65 4.212 18 11 294.98 10 8 65 2
NPC87172 C47H76O17 [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate 912.508251 -2.7577 4.76 5.344 17 10 274.75 9 8 64 3
NPC87419 C16H24O10 (1S,4aS,6S,7S,7aS)-6-hydroxy-7-methyl-1-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid 376.136947 -3.1798 2.12 -1.413 10 6 166.14 4 3 26 1
NPC87425 C59H96O27 [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (4aS,6aS,6bR,9R,10S,12aR)-10-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate 1236.613898 -6.8422 4.98 1.412 27 16 433.05 15 10 86 3
NPC87828 C12H20O2 196.1463299 1.3223 2.56 3.474 2 0 26.3 6 2 14 0
NPC88126 C17H26O13S 470.1094119 -3.2572 1.79 -2.385 13 6 217.89 9 2 31 2
NPC88195 C24H46O4 (2,2-dimethyl-1,3-dioxolan-4-yl)methyl octadecanoate 398.33961 -4.5378 3.66 9.49 4 0 44.76 19 1 28 2
NPC88278 C6H12O6 Inositol 180.06 -3.0642 1.46 -1.458 6 6 121.38 6 1 12 1
NPC88789 C21H20O12 464.0954761 -4.8921 2.45 -0.354 12 8 206.6 12 4 33 1
NPC89276 C11H18O2 [(E)-hex-3-enyl] (Z)-2-methylbut-2-enoate 182.1306798 1.2173 2.45 3.21 2 0 26.3 6 0 13 0
NPC92531 C59H96O27 [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate 1236.613898 -6.8422 4.98 1.412 27 16 433.05 15 10 86 3
NPC92774 C16H18O9 (3R,5R)-4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,3,5-trihydroxycyclohexane-1-carboxylic acid 354.0950822 -2.1962 2.23 -0.876 7 6 164.75 5 2 25 1
NPC93135 C10H12O 2,4,5-trimethylbenzaldehyde 148.088815 1.7336 2.45 4.049 1 0 17.07 1 1 11 0
NPC9424 C15H26O (1aR,4R,7R,7bS)-1,1,4,7-tetramethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-ol 222.1983655 1.2587 3 5.078 1 1 20.23 0 3 16 1
NPC95164 C53H86O22 [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (4aS,6aS,6bR,9R,10S,12aR)-10-[(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-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate 1074.561074 -5.0953 4.87 3.378 22 13 353.9 12 9 75 3
NPC95347 C17H24O10 388.136947 -2.4095 2.23 -0.469 10 4 144.14 5 3 27 0
NPC98212 C16H18O9 (1S,3R,4S,5R)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexane-1-carboxylic acid 354.0950822 -2.1962 2.23 -0.447 7 6 164.75 5 2 25 1
NPC9880 C12H20O2 196.1463299 1.3223 2.56 3.474 2 0 26.3 6 2 14 0
NPC99971 C25H28O12 520.1580763 -2.5274 2.89 2.575 12 6 192.44 7 4 37 2

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