761 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.



154 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
NPC100340 C14H14O2 Dihydropinosylvin 214.1 -0.7958 2.78 5.238 0 2 40.46 5 2 16 1
NPC100570 C15H24 204.1878008 2.4838 3.11 6.597 0 0 0 0 3 15 1
NPC100773 C14H12O4 2,2-dimethyl-3H-pyrano[3,2-g]chromene-4,8-dione 244.0735589 0.481 2.56 2.05 2 0 52.6 0 3 18 0
NPC100980 C6H6O Phenol 94.04 -0.4603 2.01 2.044 0 1 20.23 1 1 7 0
NPC101153 C20H20O6 4-[(3S,3aR,6S,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-methoxyphenol 356.1259884 -1.8128 3 2.13 2 1 66.38 3 5 26 0
NPC102091 C10H14 1-methyl-2-propan-2-ylbenzene 134.1095504 1.2149 2.56 5.785 0 0 0 1 1 10 1
NPC10251 C16H22O4 Dibutyl Phthalate 278.15 -1.2084 2.78 5.034 4 0 52.6 12 1 20 1
NPC103497 C16H15NO2 (4Z)-2-methyl-4-(5-phenyl-1,2-oxazolidin-3-ylidene)cyclohexa-2,5-dien-1-one 253.1102787 0.4676 2.89 3.38 1 1 38.33 1 3 19 0
NPC104569 C15H26O 2-[(3R,5S,8R)-3,8-dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl]propan-2-ol 222.1983655 1.3215 3 4.027 1 1 20.23 1 2 16 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
NPC105246 C15H24 204.1878008 3.2309 3.11 6.071 0 0 0 6 1 15 1
NPC105329 C9H16O2 156.1150298 -1.4954 2.23 2.744 2 0 26.3 5 1 11 0
NPC105509 C15H24 1,1,4,7-tetramethyl-1a,2,3,4,5,6,7,7b-octahydrocyclopropa[e]azulene 204.1878008 2.051 3.11 5.835 0 0 0 0 3 15 1
NPC105557 C15H24 (3S)-3-(6-methylhept-5-en-2-yl)-6-methylidenecyclohexene 204.1878008 3.1924 3.11 6.399 0 0 0 4 1 15 1
NPC105585 C10H14O (1S,5R)-6,6-dimethylbicyclo[3.1.1]hept-3-ene-4-carbaldehyde 150.1044651 0.6818 2.45 2.803 1 0 17.07 1 1 11 0
NPC106250 C15H24O 220.1827154 1.9144 3 4.607 1 0 12.53 0 3 16 0
NPC107015 C11H24 2-methyldecane 156.1878008 -0.8482 2.67 6.538 0 0 0 7 0 11 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
NPC107540 C10H16O 152.1201151 0.4255 2.45 2.296 1 1 20.23 4 1 11 0
NPC107688 C10H20 dec-4-ene 140.1565006 -0.0704 2.56 5.514 0 0 0 6 0 10 1
NPC108759 C24H28O4 380.1987594 -0.1011 3.66 5.343 4 0 52.6 4 3 28 1
NPC109034 C5H8O 84.05751488 1.1613 1.9 0.998 1 0 17.07 3 0 6 0
NPC109813 C15H24 Beta-Caryophyllene 204.19 3.2289 3.11 6.044 0 0 0 3 2 15 1
NPC1108 C24H28O4 (3S,3'z,5'ar,6's,7'as)-3'-Butylidene-6'-Propylspiro[4,5-Dihydro-2-Benzofuran-3,7'-5,5A,6,7A-Tetrahydro-4H-Cyclobuta[G][2]Benzofuran]-1,1'-Dione 380.2 0.1056 3.66 4.443 4 0 52.6 6 5 28 0
NPC111888 C8H8O4 Vanillic Acid 168.04 -0.7519 1.9 0.626 2 2 66.76 5 1 12 0
NPC112610 C15H24O 220.1827154 1.5861 3 4.553 1 0 12.53 0 4 16 0
NPC113212 C6H12O6 cyclohexane-1,2,3,4,5,6-hexol 180.0633881 -3.0642 1.46 -1.458 6 6 121.38 0 1 12 1
NPC113733 C29H48O Stigmasterol 412.37 1.2566 4.54 11.071 1 1 20.23 12 4 30 1
NPC114046 C21H34O11 [(6S)-6,7-dihydroxy-7-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-yl]methyl 3-methylbutanoate 462.2101119 -2.8509 2.56 -0.25 11 6 175.37 8 3 32 2
NPC114239 C10H16 136.1252005 1.5162 2.56 4.177 0 0 0 3 1 10 0
NPC114325 C7H8O2 Guaiacol 124.05 -0.5121 2.01 1.389 0 1 29.46 3 1 9 0
NPC114328 C15H19F2NO4 (3R)-4-(2,5-difluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid 315.1282145 2.1571 2.34 3.793 5 2 79.12 7 1 22 0
NPC11433 C5H9NO2 L-Proline 115.06 -1.3817 1.68 -0.185 3 2 49.33 2 1 8 0
NPC11489 C10H16O (2R,5S)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-one 152.1201151 1.4248 2.45 2.096 1 0 17.07 1 1 11 0
NPC116709 C3H7NO2 D-Alanine 89.05 -1.0955 1.46 -2.824 3 2 63.32 4 0 6 0
NPC118823 C15H24 (1S,4E,8E,10R)-4,8,11,11-tetramethylbicyclo[8.1.0]undeca-4,8-diene 204.1878008 3.2134 3.11 5.999 0 0 0 0 2 15 1
NPC118968 C10H18O4 202.1205091 -2.138 2.12 2.282 4 2 74.6 11 0 14 0
NPC119167 C15H24 1,8-dimethyl-4-propan-2-ylidenespiro[4.5]dec-8-ene 204.1878008 2.8024 3.11 5.359 0 0 0 0 2 15 1
NPC119267 C10H16O deca-2,4-dienal 152.1201151 0.0794 2.45 3.682 1 0 17.07 6 0 11 0
NPC119343 C10H18O3 186.1255944 -0.3436 2.23 0.433 3 2 49.69 1 0 13 0
NPC119381 C19H34O2 methyl (9E,12Z)-octadeca-9,12-dienoate 294.2558803 -0.6975 3.33 8.186 2 0 26.3 15 0 21 2
NPC119405 C43H48O23 [(2S,3R,4S,5R,6R)-6-[[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxy-5-methoxyphenyl)-7-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-2-methyloxan-3-yl] 3-(4-hydroxyphenyl)prop-2-enoate 934.2742879 -6.824 3.66 -0.904 16 14 353.9 14 7 66 3
NPC119575 C10H12O 2,3,6-trimethylbenzaldehyde 148.088815 1.7336 2.45 4.049 1 0 17.07 1 1 11 0
NPC119949 C11H12O3 Elemicin 192.08 0.6742 2.34 2.486 0 0 27.69 4 2 14 0
NPC121272 C25H28O4 392.1987594 -0.6844 3.77 6.997 4 0 52.6 6 5 29 1
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
NPC122086 C4H8O2 ethyl acetate 88.0524295 0.2715 1.68 0.664 2 0 26.3 2 0 6 0
NPC122768 C5H10O2 (R)-2-Methylbutanoate 102.07 -0.1817 1.79 1.035 2 1 37.3 5 0 7 0
NPC122819 C45H73NO15 Solamargine 867.5 -4.2299 4.65 2.64 16 9 238.48 21 9 61 2
NPC123229 C15H26O (4R,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
NPC123526 C20H20O6 Piperitol 356.13 -1.8128 3 2.13 2 1 66.38 5 5 26 0
NPC123965 C30H50 410.3912516 8.5524 4.76 11.482 0 0 0 23 0 30 2
NPC124436 C7H8O P-Cresol 108.06 0.1817 2.12 2.367 0 1 20.23 2 1 8 0
NPC124615 C8H12 (2E,4E,6E)-octa-2,4,6-triene 108.0939004 2.2824 2.34 3.698 0 0 0 2 0 8 0
NPC124876 C15H24 204.1878008 1.0459 3.11 6.544 0 0 0 1 3 15 1
NPC126240 C12H20O2 [(1R,3S)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] acetate 196.1463299 1.3223 2.56 3.474 2 0 26.3 2 2 14 0
NPC12664 C10H16 (1R,6S)-4,7,7-trimethylbicyclo[4.1.0]hept-4-ene 136.1252005 1.9812 2.56 4.177 0 0 0 0 2 10 0
NPC126681 C2H5NO2 Glycine 75.03 -1.1915 1.35 -3.35 3 2 63.32 3 0 5 0
NPC126915 C15H32O 228.2453156 -4.1414 3 7.11 1 1 20.23 15 0 16 2
NPC126925 C5H11NO2 117.0789786 -0.5739 1.68 -2.169 3 2 63.32 6 0 8 0
NPC127570 C10H16O 2-(4-methylidenecyclohex-2-en-1-yl)propan-2-ol 152.1201151 1.1254 2.45 2.296 1 1 20.23 1 1 11 0
NPC127696 C8H16O2 144.1150298 1.2277 2.12 1.865 2 0 26.3 8 0 10 0
NPC129253 C27H43NO4 445.3192089 -1.4505 3.88 3.268 5 4 81.95 1 6 32 0
NPC129655 C8H6O3 4,7-dihydro-2-benzofuran-1,3-dione 150.0316941 0.9722 2.01 0.667 3 0 43.37 0 2 11 0
NPC129683 C50H82O22 1034.529774 -6.1361 4.54 1.401 22 12 335.06 11 10 72 3
NPC13007 C14H12O3 Sesalin 228.08 1.1778 2.67 2.932 1 0 35.53 2 3 17 0
NPC131450 C20H23N7O7 Leucovorin 473.17 -3.7521 2.12 -0.04 14 8 216.54 14 3 34 3
NPC131852 C12H14O3 (4Z)-4-butylidene-1a,2,3,6b-tetrahydrooxireno[2,3-g][2]benzofuran-6-one 206.0942943 -0.4551 2.45 1.772 3 0 38.83 2 3 15 0
NPC132307 C5H11NO2 D-Valine 117.08 -0.5739 1.68 -2.169 3 2 63.32 6 0 8 0
NPC133600 C12H14O2 Ligustilide 190.1 0.8112 2.56 2.819 2 0 26.3 3 2 14 0
NPC133819 C4H8O Isobutyraldehyde 72.06 0.5419 1.79 0.88 1 0 17.07 3 0 5 0
NPC135127 C21H24O8 404.1471177 -1.3555 2.89 1.595 4 3 114.68 16 2 29 0
NPC135238 C10H16 6,7,7-trimethyl-2,3,4,5-tetrahydro-1H-tricyclo[2.2.1.0^{2,6}]heptane 136.1252005 0.9365 2.56 4.779 0 0 0 0 1 10 0
NPC135245 C16H32O (E)-hexadec-11-en-1-ol 240.2453156 -2.2984 3.11 7.163 1 1 20.23 13 0 17 2
NPC135353 C12H24O dodecanal 184.1827154 -2.6983 2.67 5.708 1 0 17.07 10 0 13 1
NPC136633 C7H9NO2 4-amino-3-methoxyphenol 139.0633285 -1.262 1.9 0.359 1 2 55.48 1 1 10 0
NPC136996 C10H22 142.1721507 -2.2014 2.56 6.03 0 0 0 9 0 10 1
NPC13709 C18H35NO (E)-octadec-9-enamide 281.2718647 -2.1845 3.22 8.598 2 2 44.08 15 0 20 2
NPC137115 C17H24O2 (9E)-heptadeca-1,9-dien-4,6-diyne-3,8-diol 260.17763 0.2016 3.11 4.573 2 2 40.46 8 0 19 0
NPC137646 C15H26O 222.1983655 1.3573 3 5.176 1 1 20.23 0 3 16 1
NPC137949 C9H6O4 Esculetin 178.03 -0.6506 2.01 0.998 1 2 66.76 2 2 13 0
NPC138113 C10H16 Myrcene 136.13 3.0936 2.56 4.17 0 0 0 6 0 10 0
NPC138347 C15H24O 1,1,7-trimethyl-4-methylidene-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulen-7-ol 220.1827154 1.7158 3 4.157 1 1 20.23 0 3 16 0
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
NPC139569 C16H32O 2-Tetradecyloxirane 240.25 -3.8856 3.11 7.456 1 0 12.53 14 1 17 2
NPC139617 C10H12O3 180.0786442 -0.493 2.23 1.135 1 2 49.69 6 1 13 0
NPC139619 C15H24O 1,1,4,7-tetramethyl-2,3,5,6,7a,7b-hexahydro-1aH-cyclopropa[h]azulen-7-ol 220.1827154 1.667 3 3.561 1 1 20.23 0 3 16 0
NPC139665 C55H88O27 1180.551298 -6.8822 4.54 -0.531 27 14 411.05 12 11 82 3
NPC13991 C10H16 Alpha-Pinene 136.13 1.5162 2.56 4.177 0 0 0 3 1 10 0
NPC14079 C12H17N5O3 [(2S,5S)-5-(6-aminopurin-9-yl)-3-(hydroxymethyl)-2-methyloxolan-3-yl]methanol 279.1331394 -1.7693 1.9 -1.047 8 3 119.31 3 3 20 0
NPC140872 C5H12N2O2 D-Ornithine 132.09 -2.4611 1.57 -3.307 4 3 89.34 7 0 9 0
NPC141777 C10H16 136.1252005 1.3875 2.56 4.024 0 0 0 2 2 10 0
NPC142265 C15H24 (1aS,4aR,8aS)-2,4a,8,8-tetramethyl-1,1a,4,5,6,7-hexahydrocyclopropa[j]naphthalene 204.1878008 2.0791 3.11 6.695 0 0 0 0 3 15 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
NPC142621 C8H9 1,2-dimethylbenzene 106.0782503 2.2151 2.34 3.028 0 0 0 0 1 8 0
NPC142924 C9H20 2-methyloctane 128.1565006 -0.2722 2.45 5.4 0 0 0 5 0 9 1
NPC143545 C11H16 pentylbenzene 148.1252005 -0.7503 2.67 6.661 0 0 0 4 1 11 1
NPC143586 C40H56O3 2-[(2E,4E,6E,8E,10E,12E,14E,16E)-17-(4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl)-6,11,15-trimethylheptadeca-2,4,6,8,10,12,14,16-octaen-2-yl]-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-6-ol 584.4229457 7.8504 5.53 9.229 3 2 49.69 9 3 43 1
NPC143639 C15H24O (4aS,7R,7aR)-1,1,7-trimethyl-4-methylidene-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulen-7-ol 220.1827154 1.7158 3 4.157 1 1 20.23 0 3 16 0
NPC144023 C10H16 136.1252005 1.5645 2.56 4.472 0 0 0 3 1 10 0
NPC144186 C15H24 (1S)-1,8-dimethyl-4-propan-2-ylspiro[4.5]deca-3,9-diene 204.1878008 1.5903 3.11 6.757 0 0 0 1 2 15 1
NPC14426 C10H16O [(1S,5R)-6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl]methanol 152.1201151 0.4255 2.45 2.296 1 1 20.23 1 1 11 0
NPC14576 C15H24 204.1878008 1.0459 3.11 6.544 0 0 0 1 3 15 1
NPC145901 C13H20O4 240.1361591 -0.6467 2.45 -0.186 4 2 66.76 2 2 17 0
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
NPC146316 C5H6O 2-Methylfuran 82.04 0.2854 1.9 1.515 0 0 13.14 1 1 6 0
NPC146522 C10H14 1-methyl-4-prop-1-en-2-ylcyclohexa-1,3-diene 134.1095504 2.4651 2.56 3.47 0 0 0 1 1 10 0
NPC147096 C13H28O 200.2140155 -3.5654 2.78 5.972 1 1 20.23 13 0 14 2
NPC147298 C20H23N7O7 473.1658961 -3.7521 2.12 -0.04 14 8 216.54 14 3 34 3
NPC147753 C45H73NO16 883.4929353 -4.7299 4.54 2.366 17 10 258.71 22 9 62 2
NPC147983 C19H19N7O6 Folic Acid 441.14 -2.6195 2.12 0.045 13 7 209.98 13 3 32 2
NPC148671 C15H24O (1aR,7S,7aS,7bR)-1,1,4,7-tetramethyl-2,3,5,6,7a,7b-hexahydro-1aH-cyclopropa[h]azulen-7-ol 220.1827154 1.667 3 3.561 1 1 20.23 0 3 16 0
NPC148729 C11H22 (Z)-undec-5-ene 154.1721507 -0.3584 2.67 6.083 0 0 0 7 0 11 1
NPC149193 C4H8O2 butanoate 87.04460446 -1.1195 1.68 0.261 2 0 40.13 2 0 6 0
NPC149209 C4H8O2 Butanoic Acid 88.05 -0.4417 1.68 0.742 2 1 37.3 4 0 6 0
NPC150031 C7H14O2 methyl hexanoate 130.0993797 -0.7667 2.01 2.201 2 0 26.3 5 0 9 0
NPC150469 C20H23N7O7 2-[[4-[(2-amino-5-formyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid 473.1658961 -3.7521 2.12 -0.04 14 8 216.54 11 3 34 3
NPC150738 C11H18 (E)-undec-5-en-3-yne 150.1408506 0.808 2.67 5.275 0 0 0 4 0 11 1
NPC15074 C10H16 (4E,6Z)-2,6-dimethylocta-2,4,6-triene 136.1252005 3.3777 2.56 4.152 0 0 0 2 0 10 0
NPC151140 C5H10O2 (S)-2-Methylbutanoate 102.07 -0.1817 1.79 1.035 2 1 37.3 5 0 7 0
NPC151448 C50H82O22 1034.529774 -6.1361 4.54 0.972 22 12 335.06 11 10 72 3
NPC151498 C12H20O4 dimethyl 1,2,2-trimethylcyclopentane-1,3-dicarboxylate 228.1361591 1.3821 2.34 1.851 4 0 52.6 4 1 16 0
NPC153375 C27H30O16 610.1533849 -6.139 2.67 -1.188 11 10 265.52 6 5 43 2
NPC153602 C15H24 (1R,4S,5S)-1,8-dimethyl-4-prop-1-en-2-ylspiro[4.5]dec-8-ene 204.1878008 2.658 3.11 6.149 0 0 0 1 2 15 1
NPC154186 C15H30O2 242.2245802 -3.6097 2.89 7.001 2 1 37.3 15 0 17 2
NPC154466 C10H16O (1S,5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol 152.1201151 1.5693 2.45 1.699 1 1 20.23 1 1 11 0
NPC154477 C16H34 226.2660511 -3.9294 3.22 9.444 0 0 0 15 0 16 2
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
NPC156373 C15H24 (1S,5R)-1,8-dimethyl-4-propan-2-ylidenespiro[4.5]dec-8-ene 204.1878008 2.8024 3.11 5.359 0 0 0 0 2 15 1
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
NPC156840 C9H12O2 152.0837296 -0.2052 2.23 2.281 0 1 29.46 5 1 11 0
NPC157192 C29H50O (3S,8S,9S,10R,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
NPC158527 C10H20O2 butyl hexanoate 172.1463299 -1.3821 2.34 3.551 2 0 26.3 8 0 12 0
NPC158853 C6H6O3 Maltol 126.03 -0.6804 1.79 0.907 3 1 46.53 2 1 9 0
NPC158877 C12H14O2 (3Z)-3-butylidene-3a,4-dihydro-2-benzofuran-1-one 190.0993797 0.7169 2.56 2.448 2 0 26.3 2 2 14 0
NPC158993 C9H14 (Z)-non-2-en-4-yne 122.1095504 1.0354 2.45 4.242 0 0 0 2 0 9 0
NPC15912 C12H20O2 196.1463299 2.8483 2.56 3.208 2 0 26.3 10 0 14 0
NPC160207 C6H10O7 (2S,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid 194.0426527 -2.6884 1.35 -3.168 7 5 135.29 5 0 13 0
NPC160382 C10H12O3 180.0786442 -0.3558 2.23 2.638 3 1 46.53 6 1 13 0
NPC160416 C15H26O 4,7-dimethyl-7-(4-methylpent-3-enyl)bicyclo[2.2.1]heptan-3-ol 222.1983655 2.1754 3 4.661 1 1 20.23 3 2 16 0
NPC160633 C12H14O5 methyl 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate 238.0841235 -0.1916 2.23 1.108 2 1 64.99 5 1 17 0
NPC16070 C10H14O 6,6-dimethylbicyclo[3.1.1]hept-3-ene-4-carbaldehyde 150.1044651 0.6818 2.45 2.803 1 0 17.07 1 1 11 0
NPC16087 C10H22 3-methylnonane 142.1721507 -0.9484 2.56 5.969 0 0 0 6 0 10 1
NPC161097 C17H34O2 270.2558803 -3.6467 3.11 7.891 2 0 26.3 17 0 19 2
NPC161543 C16H30O8 (2S,3R,4S,5R,6R)-2-[(2R,3R,4R,6S)-6-ethoxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-6-methyloxane-3,5-diol 350.1940679 -1.5617 2.34 -0.534 8 2 95.84 6 2 24 0
NPC161617 C8H8O3 2,4-Dihydroxyacetophenone 152.05 -1.1745 2.01 0.801 1 2 57.53 4 1 11 0
NPC161706 C12H14O3 (3Z)-3-(2-hydroxybutylidene)-4,5-dihydro-2-benzofuran-1-one 206.0942943 0.0449 2.45 1.633 3 1 46.53 2 2 15 0
NPC163533 C17H24O2 (3R,8S,9E)-heptadeca-1,9-dien-4,6-diyne-3,8-diol 260.17763 0.2016 3.11 4.573 2 2 40.46 8 0 19 0
NPC163575 C11H14O 1-phenylpentan-1-one 162.1044651 -0.7537 2.56 4.322 1 0 17.07 4 1 12 0
NPC163851 C11H18 (Z)-undec-5-en-3-yne 150.1408506 0.808 2.67 5.275 0 0 0 4 0 11 1
NPC163984 C10H14O (S)(+)Carvone 150.1 1.5954 2.45 1.756 1 0 17.07 3 1 11 0
NPC164526 C10H12O 148.088815 1.7336 2.45 4.049 1 0 17.07 4 1 11 0
NPC164721 C15H24 204.1878008 2.4838 3.11 6.597 0 0 0 0 3 15 1
NPC165651 C10H20O 156.1514153 1.4641 2.45 3.286 1 1 20.23 9 0 11 0
NPC165817 C12H14O4 3-butanoyl-3-hydroxy-4,5-dihydro-2-benzofuran-1-one 222.0892089 -0.1347 2.34 0.63 4 1 63.6 3 2 16 0
NPC166303 C15H24 (1aS,4aS,8aS)-2,4a,8,8-tetramethyl-1,1a,4,5,6,7-hexahydrocyclopropa[j]naphthalene 204.1878008 2.0791 3.11 6.695 0 0 0 0 3 15 1
NPC166362 C10H16 136.1252005 1.3875 2.56 4.024 0 0 0 2 2 10 0
NPC16656 C20H32O (3S,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-4,6,8-trien-1-ol 288.2453156 2.7161 3.55 6.514 1 1 20.23 6 1 21 1
NPC167385 C19H34O2 methyl octadeca-9,12-dienoate 294.2558803 -0.6975 3.33 8.186 2 0 26.3 15 0 21 2
NPC167387 C2H4O ethanol 46.04186481 -0.1076 1.57 -0.076 1 1 20.23 0 0 3 0
NPC167400 C6H5NO2 Niacin 123.03 -0.2398 1.79 0.637 3 1 50.19 2 1 9 0
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
NPC168351 C10H16O (3S)-6-methyl-3-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane 152.1201151 1.5647 2.45 2.292 1 0 12.53 1 2 11 0
NPC169493 C27H43NO4 445.3192089 -1.4505 3.88 3.268 5 4 81.95 1 6 32 0
NPC16952 C14H30O tetradecan-4-ol 214.2296656 -3.5761 2.89 6.221 1 1 20.23 11 0 15 2
NPC16983 C39H63NO11 721.4401118 -2.983 4.43 3.474 12 7 179.56 5 8 51 2
NPC16994 C10H20 (Z)-dec-4-ene 140.1565006 -0.0704 2.56 5.514 0 0 0 6 0 10 1
NPC169980 C9H14N4S N-[(E)-butylideneamino]-2-methylsulfanylpyrimidin-4-amine 210.0939174 0.0364 1.9 3.505 4 1 75.47 5 1 14 0
NPC170799 C10H14O 150.1044651 1.2447 2.45 1.87 1 0 17.07 3 1 11 0
NPC171568 C15H24 204.1878008 1.8851 3.11 6.642 0 0 0 0 3 15 1
NPC173111 C15H24O (Z)-5-[(6R)-4,6-dimethyl-6-bicyclo[3.1.1]hept-3-enyl]-2-methylpent-2-en-1-ol 220.1827154 1.6577 3 4.223 1 1 20.23 4 1 16 0
NPC175043 C10H20 (E)-dec-4-ene 140.1565006 -0.0704 2.56 5.514 0 0 0 6 0 10 1
NPC175795 C33H40O21 772.2062083 -7.8859 2.78 -2.725 16 13 344.67 9 6 54 2
NPC175834 C14H30O (4S)-tetradecan-4-ol 214.2296656 -3.5761 2.89 6.221 1 1 20.23 11 0 15 2
NPC175987 C15H24 (4Z)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene 204.1878008 3.2289 3.11 6.044 0 0 0 0 2 15 1
NPC176593 C16H32O (Z)-hexadec-11-en-1-ol 240.2453156 -2.2984 3.11 7.163 1 1 20.23 13 0 17 2
NPC177112 C10H18O 154.1357652 1.1223 2.45 1.947 1 1 20.23 5 1 11 0
NPC177213 C8H6O4 3,4,5,6-tetradeuteriophthalic acid 166.0266087 -0.4796 1.9 1.692 4 2 74.6 2 1 12 0
NPC177996 C19H19N7O6 2-[[4-[(2-Amino-4-Oxo-1H-Pteridin-6-Yl)Methylamino]Benzoyl]Amino]Pentanedioic Acid 441.14 -2.6195 2.12 0.045 13 7 209.98 13 3 32 2
NPC1786 C9H8O4 180.0422587 -0.7993 2.01 1.141 2 3 77.76 5 1 13 0
NPC179024 C15H26O 222.1983655 1.2945 3 4.04 1 1 20.23 6 2 16 0
NPC179694 C15H30OS pentadecanethioic S-acid 258.2017366 -2.9824 2.89 7.418 1 0 55.87 13 0 17 2
NPC179831 C8H16O 128.1201151 -1.5463 2.23 3.432 1 0 17.07 7 0 9 0
NPC180058 C8H8O3 2,3,6-trideuterio-4-hydroxy-5-methoxybenzaldehyde 152.0473441 -0.7045 2.01 1.04 1 1 46.53 2 1 11 0
NPC180256 C39H62O12 722.4241274 -2.7167 4.43 4.099 12 6 176.76 5 8 51 2
NPC180840 C18H30O 262.2296656 4.0571 3.33 5.44 1 0 17.07 14 0 19 1
NPC180871 C10H18O Linalool 154.14 2.4692 2.45 2.468 1 1 20.23 8 0 11 0
NPC181153 C3H6O2 74.03677943 -0.1537 1.57 0.173 2 1 37.3 3 0 5 0
NPC181516 C16H34O Cetyl Alcohol 242.26 -4.4294 3.11 7.679 1 1 20.23 16 0 17 2
NPC18188 C4H9NO2 Gamma-Aminobutyric Acid 103.06 -1.2313 1.57 -0.668 3 2 63.32 5 0 7 0
NPC182057 C20H23N7O7 (2R)-2-[[4-[(2-Amino-5-Formyl-4-Oxo-1,6,7,8-Tetrahydropteridin-6-Yl)Methylamino]Benzoyl]Amino]Pentanedioic Acid 473.17 -3.7521 2.12 -0.04 14 8 216.54 14 3 34 3
NPC182158 C15H24 204.1878008 2.4838 3.11 6.597 0 0 0 0 3 15 1
NPC182794 C12H16O2 192.1150298 -0.0918 2.56 2.799 2 0 26.3 4 2 14 0
NPC183231 C11H22O2 2-methylbutyl hexanoate 186.1619799 -0.9607 2.45 3.848 2 0 26.3 8 0 13 0
NPC18335 C5H5N5 Adenine 135.05 -1.1703 1.46 -0.664 5 2 80.48 1 2 10 0
NPC184049 C15H24O 220.1827154 1.7158 3 4.157 1 1 20.23 4 3 16 0
NPC184608 C56H92O28 1212.577512 -8.1057 4.54 -0.737 28 16 434.44 14 11 84 3
NPC185019 C18H34O2 (E)-octadec-13-enoic acid 282.2558803 -2.3427 3.22 8.192 2 1 37.3 15 0 20 2
NPC185041 C14H30O 214.2296656 -3.8534 2.89 6.541 1 1 20.23 14 0 15 2
NPC186653 C36H58O6 586.4233396 -4.1511 4.76 9.868 6 3 104.06 17 4 42 2
NPC186811 C14H28 (E)-tetradec-5-ene 196.2191009 -1.2224 3 7.79 0 0 0 10 0 14 1
NPC186903 C9H12O2 1,3-dimethoxy-5-methylbenzene 152.0837296 0.5384 2.23 2.231 0 0 18.46 2 1 11 0
NPC187504 C29H50O (3S,10S,13R)-10,13-dimethyl-17-(5,5,6-trimethylheptan-2-yl)-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol 414.3861662 2.5615 4.54 11.077 1 1 20.23 5 4 30 1
NPC187853 C10H16 (1R,6R)-4,7,7-trimethylbicyclo[4.1.0]hept-4-ene 136.1252005 1.9812 2.56 4.177 0 0 0 0 2 10 0
NPC188238 C10H18O (1S)-4-methyl-1-propan-2-ylcyclohex-3-en-1-ol 154.1357652 1.1223 2.45 1.947 1 1 20.23 1 1 11 0
NPC188341 C18H35NO Oleamide 281.27 -2.1845 3.22 8.598 2 2 44.08 17 0 20 2
NPC188676 C11H22 (E)-undec-5-ene 154.1721507 -0.3584 2.67 6.083 0 0 0 7 0 11 1
NPC189117 C10H12 1-ethenyl-3,5-dimethylbenzene 132.0939004 1.9915 2.56 5.6 0 0 0 1 1 10 1
NPC189226 C12H25 dodecane 170.2034508 -2.7774 2.78 7.168 0 0 0 9 0 12 1
NPC19044 C4H6O5 (2R)-2-Hydroxybutanedioic Acid 134.02 -1.0622 1.35 -1.474 5 3 94.83 6 0 9 0
NPC190742 C10H19NO8 (2R,3S,4R,5R)-6-[2-(dimethylazaniumyl)acetyl]oxy-2,3,4,5-tetrahydroxyhexanoate 281.1110666 -2.4528 1.57 -3.474 9 5 147.76 9 0 19 0
NPC190810 C10H16 136.1252005 2.1424 2.56 3.729 0 0 0 3 1 10 0
NPC191123 C9H16O2 (5R)-5-pentyloxolan-2-one 156.1150298 -1.4954 2.23 2.744 2 0 26.3 4 1 11 0
NPC191498 C15H24 (4aR)-3,5,5,9-tetramethyl-1,2,4a,6,7,8-hexahydrobenzo[7]annulene 204.1878008 2.5071 3.11 5.558 0 0 0 0 2 15 1
NPC192138 C12H22O2 (4R,5R)-5-heptyl-4-methyloxolan-2-one 198.1619799 -1.65 2.56 4.179 2 0 26.3 6 1 14 0
NPC192402 C4H6O5 134.0215233 -1.0622 1.35 -1.474 5 3 94.83 6 0 9 0
NPC192762 C10H14O 3-methyl-2-(3-methylbut-2-enyl)furan 150.1044651 2.1065 2.45 2.774 0 0 13.14 2 1 11 0
NPC192962 C15H26O 222.1983655 1.3215 3 4.027 1 1 20.23 6 2 16 0
NPC193258 C7H12O heptylidyneoxidanium 112.088815 -1.2174 2.12 2.551 0 0 0 4 0 8 0
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
NPC193975 C18H26O3 290.1881947 -0.2644 3.11 4.421 3 1 46.53 13 0 21 0
NPC194586 C15H26O Nerolidiol 222.2 3.7014 3 4.29 1 1 20.23 12 0 16 0
NPC195749 C18H19NO4 N-Trans-Feruloyl Tyramine 313.13 -0.6499 2.89 3.109 2 3 82.28 10 2 23 0
NPC196081 C12H14O3 2-[(4-methoxyphenyl)methylidene]butanoate 205.0864693 -0.3903 2.45 2.569 2 0 49.36 4 1 15 0
NPC196676 C4H9NO3 (2R,3S)-2-azaniumyl-3-hydroxybutanoate 119.0582431 -1.6062 1.46 -3.496 4 3 83.55 2 0 8 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
NPC197141 C17H13ClN2O4 344.0563846 0.0905 2.56 3.754 4 1 81.54 8 3 24 0
NPC197376 C20H18ClNO6 2-[(5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]-3-phenylpropanoic acid 403.082265 -0.1599 2.78 5.147 6 3 116.42 5 3 28 1
NPC197505 C14H30O (4R)-tetradecan-4-ol 214.2296656 -3.5761 2.89 6.221 1 1 20.23 11 0 15 2
NPC197783 C8H10O 122.0731649 -0.1534 2.23 2.936 0 1 20.23 3 1 9 0
NPC198118 C15H28O 224.2140155 -3.6502 3 6.041 1 0 17.07 0 1 16 1
NPC19834 C17H24O Falcarinol 244.18 1.0335 3.22 6.197 1 1 20.23 10 0 18 1
NPC198658 C10H16 (3Z)-3,7-dimethylocta-1,3,6-triene 136.1252005 3.2403 2.56 4.314 0 0 0 3 0 10 0
NPC199557 C12H18O2 194.1306798 -0.426 2.56 3.157 2 0 26.3 4 2 14 0
NPC200459 C15H24 (4aR)-2,4a,8,8-tetramethyl-1,1a,4,5,6,7-hexahydrocyclopropa[j]naphthalene 204.1878008 2.0791 3.11 6.695 0 0 0 0 3 15 1
NPC200496 C10H16 (4Z,6E)-2,6-dimethylocta-2,4,6-triene 136.1252005 3.3777 2.56 4.152 0 0 0 2 0 10 0
NPC200930 C18H35NO octadec-9-enamide 281.2718647 -2.1845 3.22 8.598 2 2 44.08 15 0 20 2
NPC201581 C14H14O4 (8R)-8-(2-hydroxypropan-2-yl)-8,9-dihydrofuro[2,3-h]chromen-2-one 246.0892089 0.2617 2.56 2.093 2 1 55.76 1 3 18 0
NPC203719 C8H8O3 Vanillin 152.05 -0.7045 2.01 1.04 1 1 46.53 4 1 11 0
NPC204025 C50H82O23 1050.524689 -6.9024 4.43 0.16 23 13 355.29 11 10 73 3
NPC205152 C16H30O8 (2S,3R,4S,5R,6R)-2-[(2R,3R,4R,6R)-6-ethoxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-6-methyloxane-3,5-diol 350.1940679 -1.5617 2.34 -0.534 8 2 95.84 6 2 24 0
NPC207002 C19H20O5 328.1310737 2.0804 3 3.711 3 0 61.83 7 3 24 0
NPC207187 C21H24O8 [2-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-3-methoxypropyl] (Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate 404.1471177 -1.3555 2.89 1.595 4 3 114.68 10 2 29 0
NPC207561 C10H18O 3-methyl-6-propan-2-ylcyclohex-2-en-1-ol 154.1357652 0.9883 2.45 2.515 1 1 20.23 1 1 11 0
NPC207643 C17H34 (E)-heptadec-8-ene 238.2660511 -2.0864 3.33 9.497 0 0 0 13 0 17 2
NPC207844 C15H26O 2-(6,10-dimethylspiro[4.5]dec-9-en-3-yl)propan-2-ol 222.1983655 1.6559 3 4.591 1 1 20.23 1 2 16 0
NPC208075 C8H8O 120.0575149 -0.1576 2.23 3.494 1 0 17.07 2 1 9 0
NPC2082 C12H16O4 (3Z,6S,7S)-3-butylidene-6,7-dihydroxy-4,5,6,7-tetrahydro-2-benzofuran-1-one 224.104859 -1.2216 2.34 1.183 4 2 66.76 2 2 16 0
NPC208208 C9H18O2 propan-2-yl hexanoate 158.1306798 -0.8168 2.23 3.084 2 0 26.3 6 0 11 0
NPC208936 C10H16O (2E,4E)-Deca-2,4-Dienal 152.12 0.0794 2.45 3.682 1 0 17.07 7 0 11 0
NPC209111 C5H6O2 98.03677943 -0.6028 1.79 0.383 1 1 33.37 2 1 7 0
NPC209275 C15H24 (1S,4E,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene 204.1878008 3.2289 3.11 6.044 0 0 0 0 2 15 1
NPC210288 C15H26O 2-[(2R,4aR)-4a,8-dimethyl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-2-yl]propan-2-ol 222.1983655 1.5816 3 4.785 1 1 20.23 1 2 16 0
NPC210316 C10H16O 152.1201151 1.5647 2.45 2.292 1 0 12.53 3 2 11 0
NPC211262 C21H44 2,6,10,14-tetramethylheptadecane 296.3443014 1.6616 3.77 12.045 0 0 0 14 0 21 2
NPC212718 C8H8O3 152.0473441 -1.3862 2.01 0.298 2 2 57.53 4 1 11 0
NPC212874 C28H45NO2 427.3450297 0.5467 4.21 6.084 3 1 32.7 6 6 31 1
NPC21290 C3H7NO2 89.04767846 -1.0955 1.46 -2.824 3 2 63.32 4 0 6 0
NPC213552 C18H18O5 P-Hydroxyphenethyl Trans-Ferulate 314.12 -0.4352 2.89 3.222 2 2 75.99 10 2 23 0
NPC213749 C10H16 136.1252005 2.4017 2.56 3.852 0 0 0 4 1 10 0
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
NPC214584 C10H18O 154.1357652 1.1223 2.45 2.369 1 1 20.23 5 1 11 0
NPC214608 C9H16O4 nonanedioate 186.0892089 -3.2056 2.01 0.751 4 0 80.26 8 0 13 0
NPC214610 C9H16O4 Azelaic Acid 188.1 -1.85 2.01 1.713 4 2 74.6 10 0 13 0
NPC215632 C10H16 4-methyl-1-propan-2-ylbicyclo[3.1.0]hex-3-ene 136.1252005 1.6288 2.56 4.177 0 0 0 1 2 10 0
NPC215894 C12H20O2 [(3S)-3,7-dimethylocta-1,6-dien-3-yl] acetate 196.1463299 2.8483 2.56 3.208 2 0 26.3 6 0 14 0
NPC215915 C9H14 (E)-non-2-en-4-yne 122.1095504 1.0354 2.45 4.242 0 0 0 2 0 9 0
NPC215964 C8H6O4 phthalic acid 166.0266087 -0.4796 1.9 1.692 4 2 74.6 2 1 12 0
NPC2162 C15H24 204.1878008 0.9578 3.11 7.101 0 0 0 1 2 15 1
NPC216410 C15H24 (1R,4S,5R)-1,8-dimethyl-4-prop-1-en-2-ylspiro[4.5]dec-8-ene 204.1878008 2.658 3.11 6.149 0 0 0 1 2 15 1
NPC216515 C27H44O3 416.3290453 0.3408 4.1 7.306 3 1 38.69 0 6 30 1
NPC216630 C16H32O2 Palmitic Acid 256.24 -3.8977 3 7.57 2 1 37.3 16 0 18 2
NPC217218 C4H6O2 86.03677943 -0.0554 1.68 0.321 2 0 26.3 1 1 6 0
NPC217226 C5H4O2 Furfural 96.02 -0.3465 1.79 1.057 1 0 30.21 1 1 7 0
NPC217245 C29H45NO5 487.3297735 -0.4059 3.99 3.681 6 3 88.02 2 6 35 0
NPC217720 C9H10O 2,5-dimethylbenzaldehyde 134.0731649 1.0916 2.34 3.726 1 0 17.07 1 1 10 0
NPC218869 C14H28 (Z)-tetradec-5-ene 196.2191009 -1.2224 3 7.79 0 0 0 10 0 14 1
NPC219143 C3H7NO3 Serine 105.04 -1.5955 1.35 -3.956 4 3 83.55 5 0 7 0
NPC219367 C6H8O 2-methylcyclopent-2-en-1-one 96.05751488 0.9408 2.01 0.418 1 0 17.07 0 1 7 0
NPC219536 C12H22O4 230.1518092 -1.636 2.34 2.924 4 0 52.6 13 0 16 1
NPC219969 C6H6O2 110.0367794 0.093 1.9 1.554 1 0 30.21 2 1 8 0
NPC220860 C15H24 (1R,4aR,8aS)-4,7-dimethyl-1-propan-2-yl-1,2,4a,5,6,8a-hexahydronaphthalene 204.1878008 2.407 3.11 5.897 0 0 0 1 2 15 1
NPC221046 C14H14O5 262.0841235 -0.2855 2.45 0.625 3 2 83.83 7 2 19 0
NPC221733 C10H18O (1R,6S)-3-methyl-6-propan-2-ylcyclohex-2-en-1-ol 154.1357652 0.9883 2.45 2.515 1 1 20.23 1 1 11 0
NPC221754 C26H30O12 3,5-dihydroxy-6-(3-hydroxy-3-methylbutyl)-2-(4-hydroxyphenyl)-7-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one 534.1737264 -3.636 3 1.38 8 8 206.6 7 4 38 1
NPC222001 C10H16 (1S,6R)-4,7,7-trimethylbicyclo[4.1.0]hept-3-ene 136.1252005 2.1434 2.56 4.181 0 0 0 0 2 10 0
NPC22229 C10H16 (1S,5S)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane 136.1252005 1.0301 2.56 4.222 0 0 0 1 2 10 0
NPC222696 C16H21NO6 8-(2,3-dihydroxy-3-methoxybutoxy)-4-methoxy-1-methylquinolin-2-one 323.1368874 -1.764 2.45 0.589 6 2 88.46 6 2 23 0
NPC222997 C9H18O 142.1357652 -1.6078 2.34 3.283 1 0 17.07 8 0 10 0
NPC2232 C27H41NO5 459.2984734 -1.0802 3.77 3.155 6 4 99.02 1 6 33 0
NPC223249 C15H28O2 240.2089301 -3.5007 2.89 6.056 2 0 26.3 0 1 17 1
NPC223697 C18H32O2 (9E,12E)-octadeca-9,12-dienoic acid 280.2402303 -0.9485 3.22 7.865 2 1 37.3 14 0 20 2
NPC223848 C15H24 (1aR,4aR,8aR)-2,4a,8,8-tetramethyl-1,1a,4,5,6,7-hexahydrocyclopropa[j]naphthalene 204.1878008 2.0791 3.11 6.695 0 0 0 0 3 15 1
NPC224057 C15H24 3-methylidene-6-[(1S)-1,2,2-trimethylcyclopentyl]cyclohexene 204.1878008 2.2866 3.11 6.99 0 0 0 1 2 15 1
NPC224543 C14H14O4 (+)-Lomatin 246.09 0.2617 2.56 2.093 2 1 55.76 3 3 18 0
NPC224651 C4H4O4 Fumaric Acid 116.01 -0.2252 1.46 -0.416 4 2 74.6 4 0 8 0
NPC224743 C12H24O2 butyl octanoate 200.17763 -1.9581 2.56 4.689 2 0 26.3 10 0 14 0
NPC226077 C10H16 2,4,6-trimethylhepta-1,3,6-triene 136.1252005 3.6782 2.56 3.852 0 0 0 3 0 10 0
NPC226165 C10H14O 2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptan-5-one 150.1044651 0.8087 2.45 1.429 1 0 17.07 0 2 11 0
NPC226226 C16H24O4 (2E,7S,10E,12R,13R,15S)-12,15-Dihydroxy-7-Methyl-8-Oxabicyclo[11.3.0]Hexadeca-2,10-Dien-9-One 280.17 -0.7041 2.78 2.363 4 2 66.76 3 2 20 0
NPC226259 C9H12 1,2,3-trimethylbenzene 120.0939004 1.926 2.45 5.031 0 0 0 0 1 9 1
NPC226265 C3H7NO3 (D)-Serine 105.04 -1.5955 1.35 -3.956 4 3 83.55 5 0 7 0
NPC226709 C15H24 204.1878008 1.8851 3.11 6.642 0 0 0 0 3 15 1
NPC227031 C12H14O2 3-butylidene-4,5-dihydro-2-benzofuran-1-one 190.0993797 0.8112 2.56 2.819 2 0 26.3 2 2 14 0
NPC227049 C15H24 (4E,8E)-4,8,11,11-tetramethylbicyclo[8.1.0]undeca-4,8-diene 204.1878008 3.2134 3.11 5.999 0 0 0 0 2 15 1
NPC227058 C17H24O heptadeca-1,9-dien-4,6-diyn-3-ol 244.1827154 1.0335 3.22 6.197 1 1 20.23 8 0 18 1
NPC227250 C13H25NO4 3-hexanoyloxy-4-(trimethylazaniumyl)butanoate 259.1783583 -2.9276 2.34 0.959 4 0 66.43 10 0 18 0
NPC227378 C12H20O2 [(3S)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] acetate 196.1463299 1.3223 2.56 3.474 2 0 26.3 2 2 14 0
NPC227670 C10H16 136.1252005 1.3875 2.56 4.024 0 0 0 2 2 10 0
NPC227952 C28H30O12 558.1737264 -0.8204 3.22 -1.519 12 2 164.12 0 7 40 1
NPC227986 C9H20 Nonane 128.16 -1.9134 2.45 5.461 0 0 0 8 0 9 1
NPC22861 C51H82O26 1110.509433 -7.423 4.21 -1.424 26 15 412.82 12 10 77 3
NPC229262 C15H24 204.1878008 3.3746 3.11 5.551 0 0 0 7 1 15 1
NPC229347 C9H12N2O6 1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione 244.0695361 -2.5465 1.57 -1.782 8 4 122.82 2 2 17 0
NPC229387 C7H8O3 Furan-2-Ylmethyl Acetate 140.05 -0.2237 1.9 1.123 2 0 39.44 4 1 10 0
NPC230291 C15H24 1,4-dimethyl-7-prop-1-en-2-yl-1,2,3,3a,4,5,6,7-octahydroazulene 204.1878008 2.6467 3.11 6.048 0 0 0 1 2 15 1
NPC230301 C29H50O Beta-Sitosterol 414.39 1.3 4.54 11.595 1 1 20.23 13 4 30 1
NPC23145 C15H24 204.1878008 2.1549 3.11 6.544 0 0 0 3 3 15 1
NPC231738 C15H24 (4E)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene 204.1878008 3.2289 3.11 6.044 0 0 0 0 2 15 1
NPC23215 C5H5NO Pyrrole-2-Carboxylate 95.04 -0.6128 1.79 0.861 2 1 32.86 1 1 7 0
NPC232247 C10H16O 2-Methyl-5-Prop-1-En-2-Ylcyclohex-2-En-1-Ol 152.12 1.5693 2.45 1.699 1 1 20.23 4 1 11 0
NPC232375 C10H16 (5S)-2-methyl-5-propan-2-ylcyclohexa-1,3-diene 136.1252005 1.7112 2.56 4.427 0 0 0 1 1 10 0
NPC232572 C45H73NO15 867.4980206 -4.2299 4.65 2.64 16 9 238.48 7 9 61 2
NPC23297 C15H26O 1,1,4,7-tetramethyl-2,3,4,5,6,7,7a,7b-octahydro-1aH-cyclopropa[h]azulen-4a-ol 222.1983655 1.2587 3 4.656 1 1 20.23 0 3 16 0
NPC233376 C15H26O 2-(3,8-dimethyl-1,2,3,3a,4,5,6,7-octahydroazulen-5-yl)propan-2-ol 222.1983655 1.3438 3 4.136 1 1 20.23 1 2 16 0
NPC233533 C18H36O 6,10,14-trimethylpentadecan-2-one 268.2766158 1.0346 3.33 8.221 1 0 17.07 12 0 19 2
NPC233731 C10H12O2 Isoeugenol 164.08 0.3952 2.34 2.805 0 1 29.46 5 1 12 0
NPC233986 C14H14O4 (3R)-3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-8-one 246.0892089 0.2617 2.56 2.093 2 1 55.76 0 3 18 0
NPC234005 C4H6O2 86.03677943 -0.3327 1.68 0.219 2 0 26.3 0 1 6 0
NPC234109 C14H12O3 2-Prop-1-En-2-Yl-2,3-Dihydrofuro[3,2-G]Chromen-7-One 228.08 1.2818 2.67 2.457 1 0 35.53 2 3 17 0
NPC234231 C15H26O 2-[(3R,6S)-6,10-dimethylspiro[4.5]dec-9-en-3-yl]propan-2-ol 222.1983655 1.6559 3 4.591 1 1 20.23 1 2 16 0
NPC23508 C4H8O2 Ethyl Acetate 88.05 0.2715 1.68 0.664 2 0 26.3 4 0 6 0
NPC236564 C17H28O2 2-[(3S,5R,8S)-3,8-dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl]propan-2-yl acetate 264.2089301 1.7006 3.11 4.767 2 0 26.3 3 2 19 0
NPC236602 C10H16O (1R,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol 152.1201151 1.5693 2.45 1.699 1 1 20.23 1 1 11 0
NPC236709 C4H6O4 Succinic Acid 118.03 -0.41 1.46 -0.71 4 2 74.6 5 0 8 0
NPC236797 C12H26O 186.1983655 -3.2774 2.67 5.403 1 1 20.23 12 0 13 1
NPC237050 C16H32O hexadec-11-en-1-ol 240.2453156 -2.2984 3.11 7.163 1 1 20.23 13 0 17 2
NPC237532 C7H12O6 (3R,5R)-1,3,4,5-tetrahydroxycyclohexane-1-carboxylic acid 192.0633881 -2.0059 1.57 -1.979 6 5 118.22 1 1 13 0
NPC238960 C10H16 1,5,5,6-tetramethylcyclohexa-1,3-diene 136.1252005 2.7014 2.56 3.936 0 0 0 0 1 10 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
NPC239039 C10H16 136.1252005 1.8841 2.56 3.546 0 0 0 4 1 10 0
NPC240899 C10H16 7,7-dimethyl-3-methylidenebicyclo[2.2.1]heptane 136.1252005 1.8215 2.56 4.222 0 0 0 0 2 10 0
NPC241721 C9H16O (Z)-non-2-enal 140.1201151 -0.6764 2.34 3.557 1 0 17.07 6 0 10 0
NPC241784 C10H16 136.1252005 1.5162 2.56 4.177 0 0 0 3 1 10 0
NPC242117 C5H10O 86.07316494 1.1075 1.9 0.702 1 1 20.23 4 0 6 0
NPC242240 C11H16O 164.1201151 -1.2106 2.56 4.643 0 1 20.23 6 1 12 0
NPC242419 C27H42O3 Disogenin 414.31 0.2771 4.1 6.041 3 1 38.69 5 6 30 1
NPC2426 C15H24 204.1878008 0.9578 3.11 7.101 0 0 0 1 2 15 1
NPC24294 C15H24 (1aR,4R,7R,7bS)-1,1,4,7-tetramethyl-1a,2,3,4,5,6,7,7b-octahydrocyclopropa[e]azulene 204.1878008 2.051 3.11 5.835 0 0 0 0 3 15 1
NPC243014 C28H30O10 Physalin G 526.18 -1.0459 3.44 -0.618 10 2 145.66 5 8 38 0
NPC243293 C30H48O2 3-[4,9,10,14-tetramethyl-3,17-bis(prop-1-en-2-yl)-2,3,5,6,7,8,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-4-yl]propanoic acid 440.3654308 4.2579 4.54 12.021 2 1 37.3 5 4 32 1
NPC243349 C11H18 (3E,5E)-undeca-1,3,5-triene 150.1408506 1.086 2.67 5.345 0 0 0 6 0 11 1
NPC243509 C16H14O4 Pentosalen 270.09 1.5296 2.78 2.891 1 0 48.67 5 3 20 0
NPC243546 C17H24O2 (9Z)-heptadeca-1,9-dien-4,6-diyne-3,8-diol 260.17763 0.2016 3.11 4.573 2 2 40.46 8 0 19 0
NPC244587 C15H24 (1S)-1,8-dimethyl-4-propan-2-ylidenespiro[4.5]dec-8-ene 204.1878008 2.8024 3.11 5.359 0 0 0 0 2 15 1
NPC245187 C8H10O 2,3-Dimethylphenol 122.07 0.8237 2.23 2.479 0 1 20.23 3 1 9 0
NPC245346 C5H9NO2 Proline 115.06 -1.3817 1.68 -0.185 3 2 49.33 2 1 8 0
NPC245527 C12H16O4 (3Z,6S,7R)-3-butylidene-6,7-dihydroxy-4,5,6,7-tetrahydro-2-benzofuran-1-one 224.104859 -1.2216 2.34 1.183 4 2 66.76 2 2 16 0
NPC245735 C10H18O (Z)-dec-2-enal 154.1357652 -0.9644 2.45 4.126 1 0 17.07 7 0 11 0
NPC246165 C10H16 136.1252005 1.0301 2.56 4.222 0 0 0 3 2 10 0
NPC246214 C12H8O 168.0575149 -0.1541 2.67 4.274 0 0 13.14 0 3 13 0
NPC246358 C9H10O2 150.0680796 0.1954 2.23 2.281 0 1 29.46 4 1 11 0
NPC246544 C15H24 (1aR,7R,7aS,7bR)-1,1,4,7-tetramethyl-1a,2,3,5,6,7,7a,7b-octahydrocyclopropa[e]azulene 204.1878008 2.1061 3.11 5.948 0 0 0 0 3 15 1
NPC246704 C20H20O6 (E)-(E)-3-(4-Hydroxy-3-Methoxyphenyl)Allyl 3-(4-Hydroxy-3-Methoxyphenyl)Acrylate 356.13 -0.2748 3 3.186 2 2 85.22 12 2 26 0
NPC246903 C11H6O3 Angelicin 186.03 0.1159 2.34 2.134 1 0 39.44 0 3 14 0
NPC247553 C9H6O3 Umbelliferone 162.03 -0.1903 2.12 1.532 1 1 46.53 1 2 12 0
NPC248056 C7H12O6 (3R,5R)-1,3,4,5-tetrahydroxycyclohexane-1-carboxylate 191.0555631 -2.6837 1.57 -2.46 6 4 121.05 1 1 13 0
NPC24824 C10H20O Citronellol 156.15 1.4641 2.45 3.286 1 1 20.23 9 0 11 0
NPC24833 C5H6O 82.04186481 0.3877 1.9 0.237 1 0 17.07 0 1 6 0
NPC248411 C10H16 136.1252005 1.9812 2.56 4.177 0 0 0 3 2 10 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
NPC248884 C17H24O2 Falcarindiol 260.18 0.2016 3.11 4.573 2 2 40.46 11 0 19 0
NPC249009 C15H24 3-(6-methylhept-5-en-2-yl)-6-methylidenecyclohexene 204.1878008 3.1924 3.11 6.399 0 0 0 4 1 15 1
NPC249484 C15H32O (2R)-pentadecan-2-ol 228.2453156 -3.8641 3 7.001 1 1 20.23 12 0 16 2
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
NPC250194 C12H18O2 [(1S,3R,5S)-6,6-dimethyl-4-methylidene-3-bicyclo[3.1.1]heptanyl] acetate 194.1306798 1.1755 2.56 2.932 2 0 26.3 2 1 14 0
NPC250234 C15H26O 2-(4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl)propan-2-ol 222.1983655 0.8535 3 4.478 1 1 20.23 1 2 16 0
NPC25045 C16H32 (E)-hexadec-7-ene 224.250401 -1.7984 3.22 8.928 0 0 0 12 0 16 2
NPC250781 C51H82O22 1046.529774 -6.4214 4.65 -0.033 22 12 335.06 10 10 73 2
NPC250856 C10H18 (4R)-4-methyl-1-propan-2-ylcyclohexene 138.1408506 1.3589 2.56 4.436 0 0 0 1 1 10 0
NPC251666 C10H16O 152.1201151 1.5693 2.45 1.699 1 1 20.23 4 1 11 0
NPC251860 C21H39NO3 2-[methyl-[(E)-octadec-9-enoyl]amino]acetic acid 353.2929941 -3.077 3.33 7.506 4 1 57.61 18 0 25 2
NPC252067 C10H12O Cuminaldehyde 148.09 0.3805 2.45 4.48 1 0 17.07 4 1 11 0
NPC252660 C15H24 (1R,4R,5S)-1,8-dimethyl-4-prop-1-en-2-ylspiro[4.5]dec-8-ene 204.1878008 2.658 3.11 6.149 0 0 0 1 2 15 1
NPC25306 C5H8O3 2-oxopropyl acetate 116.0473441 -0.5369 1.68 -0.112 3 0 43.37 3 0 8 0
NPC253509 C44H52N2O5 6-[(3,5-dimethylphenyl)methyl]-5-ethyl-1-[[4-[2-(13-ethyl-17-hydroxy-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl)ethynyl]phenyl]methoxymethyl]pyrimidine-2,4-dione 688.3876228 1.1971 5.53 10.662 7 2 99.43 8 7 51 1
NPC253574 C14H14O4 (2R)-2-(2-Hydroxypropan-2-Yl)-2,3-Dihydrofuro[3,2-G]Chromen-7-One 246.09 0.2617 2.56 2.093 2 1 55.76 4 3 18 0
NPC253616 C16H16O5 5,7-Dimethoxy-8-(3-Methylbut-2-Enoyl)Chromen-2-One 288.1 1.3521 2.67 1.984 2 0 61.83 8 2 21 0
NPC253757 C14H14O4 8-(2-hydroxypropan-2-yl)-8,9-dihydrofuro[2,3-h]chromen-2-one 246.0892089 0.2617 2.56 2.093 2 1 55.76 1 3 18 0
NPC254010 C14H12O3 2-Propan-2-Ylfuro[3,2-G]Chromen-7-One 228.08 0.6888 2.67 3.286 1 0 39.44 3 3 17 0
NPC254048 C10H16 (4Z,6Z)-2,6-dimethylocta-2,4,6-triene 136.1252005 3.3777 2.56 4.152 0 0 0 2 0 10 0
NPC254156 C15H24 4,7-dimethyl-1-propan-2-yl-1,2,4a,5,6,8a-hexahydronaphthalene 204.1878008 2.407 3.11 5.897 0 0 0 1 2 15 1
NPC25455 C39H63NO11 721.4401118 -2.983 4.43 3.474 12 7 179.56 16 8 51 2
NPC256405 C12H12O3 (3Z)-3-butylidene-7-hydroxy-2-benzofuran-1-one 204.0786442 -0.5115 2.45 3.297 2 1 46.53 2 2 15 0
NPC256853 C2H6O2S Methanesulfonylmethane 94.01 -0.2206 1.35 0.09 2 0 42.52 2 0 5 0
NPC257885 C21H20O6 (3E)-3-(1,3-benzodioxol-5-ylmethylidene)-4-[(3,4-dimethoxyphenyl)methyl]oxolan-2-one 368.1259884 -0.1985 3.11 3.414 2 0 63.22 5 4 27 0
NPC259251 C11H22O2 butyl heptanoate 186.1619799 -1.6701 2.45 4.12 2 0 26.3 9 0 13 0
NPC260381 C10H16 (1S,6R)-4,7,7-trimethylbicyclo[4.1.0]hept-4-ene 136.1252005 1.9812 2.56 4.177 0 0 0 0 2 10 0
NPC260756 C15H24 (1S,3aS,4S,7S)-1,4-dimethyl-7-prop-1-en-2-yl-1,2,3,3a,4,5,6,7-octahydroazulene 204.1878008 2.6467 3.11 6.048 0 0 0 1 2 15 1
NPC26111 C15H24 (4Z)-1-methyl-4-(6-methylhept-5-en-2-ylidene)cyclohexene 204.1878008 3.953 3.11 5.148 0 0 0 3 1 15 1
NPC261818 C15H24 (1R,5R)-1,8-dimethyl-4-propan-2-ylidenespiro[4.5]dec-8-ene 204.1878008 2.8024 3.11 5.359 0 0 0 0 2 15 1
NPC261831 C18H34O2 Oleic Acid 282.26 -2.3427 3.22 8.192 2 1 37.3 17 0 20 2
NPC262505 C10H20O 156.1514153 -2.1223 2.45 4.57 1 0 17.07 9 0 11 0
NPC262789 C10H16 136.1252005 3.2403 2.56 4.314 0 0 0 6 0 10 0
NPC262922 C27H43NO3 429.3242942 -0.5623 3.99 3.971 4 3 61.72 0 6 31 0
NPC262978 C10H16O (1S,3R)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol 152.1201151 0.457 2.45 2.192 1 1 20.23 1 2 11 0
NPC26306 C26H40O4 416.2926598 -1.261 3.88 3.87 4 2 58.92 0 6 30 0
NPC263385 C13H10 166.0782503 0.4562 2.89 7.029 0 0 0 0 3 13 1
NPC264111 C5H9NS (2R)-2-isothiocyanatobutane 115.0455703 -0.0836 1.79 2.759 1 0 44.45 2 0 7 0
NPC264779 C15H26O Beta-Eudesmol 222.2 0.6981 3 4.83 1 1 20.23 5 2 16 0
NPC265113 C14H28 tetradec-5-ene 196.2191009 -1.2224 3 7.79 0 0 0 10 0 14 1
NPC265407 C12H14O2 (3S)-Butylphthalide 190.1 -0.9542 2.56 4.211 2 0 26.3 4 2 14 0
NPC265603 C11H24O undecan-6-ol 172.1827154 -2.7121 2.56 4.514 1 1 20.23 8 0 12 0
NPC265705 C15H30O pentadecanal 226.2296656 -3.5623 3 7.415 1 0 17.07 13 0 16 2
NPC266144 C14H28 196.2191009 -1.8656 3 7.94 0 0 0 12 0 14 2
NPC266539 C12H24 168.1878008 -1.2896 2.78 6.802 0 0 0 10 0 12 1
NPC266603 C10H16O (1S,3R,5S)-6,6-dimethyl-4-methylidenebicyclo[3.1.1]heptan-3-ol 152.1201151 0.7964 2.45 2.192 1 1 20.23 0 1 11 0
NPC267179 C57H96O28 1228.608812 -8.241 4.65 -0.206 28 16 434.44 19 10 85 3
NPC268130 C15H24 5,5,9-trimethyl-1-methylidenespiro[5.5]undec-9-ene 204.1878008 2.2533 3.11 5.948 0 0 0 0 2 15 1
NPC268164 C15H24 (1R,8E,10S)-4,8,11,11-tetramethylbicyclo[8.1.0]undeca-4,8-diene 204.1878008 3.2134 3.11 5.999 0 0 0 0 2 15 1
NPC268221 C18H32O2 octadeca-9,12-dienoic acid 280.2402303 -0.9485 3.22 7.865 2 1 37.3 14 0 20 2
NPC268755 C56H94O29 1230.588077 -8.688 4.43 -1.185 29 17 462.51 21 9 85 3
NPC268862 C10H16 (1R,6S)-4,7,7-trimethylbicyclo[4.1.0]hept-3-ene 136.1252005 2.1434 2.56 4.181 0 0 0 0 2 10 0
NPC268927 C6H11NO2 129.0789786 -1.6697 1.79 0.173 3 2 49.33 2 1 9 0
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
NPC269367 C12H9NO2 Dictamnine 199.06 -0.2059 2.45 2.723 1 0 35.26 2 3 15 0
NPC269442 C5H8O (Z)-2-methylbut-2-enal 84.05751488 1.1613 1.9 0.998 1 0 17.07 1 0 6 0
NPC26974 C29H60 408.4695019 -7.6734 4.65 16.841 0 0 0 28 0 29 2
NPC270077 C5H14NO (1,1,2,2-tetradeuterio-2-hydroxyethyl)-tris(trideuteriomethyl)azanium 104.1075391 -1.5741 1.79 -0.837 1 1 20.23 2 0 7 0
NPC270403 C10H10O2 prop-2-enyl benzoate 162.0680796 0.628 2.34 3.602 2 0 26.3 4 1 12 0
NPC270674 C45H73NO17 899.4878499 -5.303 4.43 0.492 18 11 278.94 8 9 63 2
NPC271282 C20H28O4 332.1987594 -0.2073 3.22 4.117 4 2 66.76 15 0 24 1
NPC2724 C2H6O Alcohol 46.04 -0.1076 1.57 -0.076 1 1 20.23 2 0 3 0
NPC272614 C3H7NO2 L-Alanine 89.05 -1.0955 1.46 -2.824 3 2 63.32 4 0 6 0
NPC273385 C13H28 184.2191009 -3.0654 2.89 7.737 0 0 0 12 0 13 1
NPC273730 C17H24O (9E)-heptadeca-1,9-dien-4,6-diyn-3-ol 244.1827154 1.0335 3.22 6.197 1 1 20.23 8 0 18 1
NPC273965 C12H14O4 ethyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate 222.0892089 0.1106 2.34 1.975 2 1 55.76 5 1 16 0
NPC274516 C20H22O8 390.1314677 -1.6065 2.78 1.274 4 4 125.68 9 2 28 0
NPC275183 C24H28O4 380.1987594 0.0623 3.66 4.778 4 0 52.6 4 3 28 0
NPC275706 C10H16O (3R,6R)-6-methyl-3-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane 152.1201151 1.5647 2.45 2.292 1 0 12.53 1 2 11 0
NPC276449 C5H10O (2S)-2-methylbutanal 86.07316494 -0.1343 1.9 1.449 1 0 17.07 2 0 6 0
NPC276928 C6H11NO2 129.0789786 -1.6697 1.79 0.173 3 2 49.33 2 1 9 0
NPC27699 C4H4N2O2 112.0272774 -0.9206 1.46 -0.462 2 2 66.24 2 1 8 0
NPC277304 C15H24 (1S,4R,5R)-1,8-dimethyl-4-prop-1-en-2-ylspiro[4.5]dec-8-ene 204.1878008 2.658 3.11 6.149 0 0 0 1 2 15 1
NPC278711 C8H18 114.1408506 -1.6254 2.34 4.892 0 0 0 7 0 8 0
NPC279026 C10H20O2 Decanoic Acid 172.15 -2.1697 2.34 4.156 2 1 37.3 10 0 12 0
NPC279028 C10H20O2 decanoate 171.1385048 -2.8475 2.34 3.675 2 0 40.13 8 0 12 0
NPC279145 C5H10O2S 2-carboxyethyl(dimethyl)sulfanium 135.0479756 0.0112 1.68 1.059 2 1 37.3 3 0 8 0
NPC279149 C15H32O pentadecan-2-ol 228.2453156 -3.8641 3 7.001 1 1 20.23 12 0 16 2
NPC279364 C15H24O (Z)-5-(4,6-dimethyl-6-bicyclo[3.1.1]hept-3-enyl)-2-methylpent-2-en-1-ol 220.1827154 1.6577 3 4.223 1 1 20.23 4 1 16 0
NPC279633 C17H24O (3S,9E)-heptadeca-1,9-dien-4,6-diyn-3-ol 244.1827154 1.0335 3.22 6.197 1 1 20.23 8 0 18 1
NPC27974 C8H10O 122.0731649 -0.1534 2.23 2.936 0 1 20.23 3 1 9 0
NPC280135 C11H10 2-Methylnaphthalene 142.08 0.642 2.67 6.261 0 0 0 1 2 11 1
NPC282024 C8H14O (Z)-oct-2-enal 126.1044651 -0.3884 2.23 2.988 1 0 17.07 5 0 9 0
NPC282102 C5H12N2O2 [(4S)-4-amino-4-carboxybutyl]azanium 133.0977027 -3.1551 1.57 -2.773 3 3 90.96 4 0 9 0
NPC282731 C39H56O4 [(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate 588.4178603 1.4748 5.31 13.122 2 1 55.76 10 5 43 1
NPC282895 C8H6O4 Phthalic Acid 166.03 -0.4796 1.9 1.692 4 2 74.6 4 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
NPC283432 C11H18 (3E,5Z)-undeca-1,3,5-triene 150.1408506 1.086 2.67 5.345 0 0 0 6 0 11 1
NPC283790 C16H20O9 6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydrochromen-2-one 356.1107322 -2.2529 2.23 -0.275 6 4 134.91 4 3 25 0
NPC283901 C10H19O6P ethyl 2-diethoxyphosphoryl-3-oxobutanoate 266.091925 0.1174 1.79 0.5 6 0 88.71 9 0 17 0
NPC284034 C15H26O 2-[(3R,5R,6R)-6,10-dimethylspiro[4.5]dec-9-en-3-yl]propan-2-ol 222.1983655 1.6559 3 4.591 1 1 20.23 1 2 16 0
NPC284104 C56H94O28 1214.593162 -8.6495 4.54 -0.725 28 17 445.44 39 10 84 3
NPC28598 C16H32O2 256.2402303 -3.3587 3 7.322 2 0 26.3 16 0 18 2
NPC286826 C13H26O 2-methyldodecan-5-one 198.1983655 -0.7544 2.78 5.182 1 0 17.07 9 0 14 1
NPC286904 C7H8O 108.0575149 0.1817 2.12 2.156 0 1 20.23 2 1 8 0
NPC287191 C13H26 182.2034508 -1.5776 2.89 7.371 0 0 0 11 0 13 1
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
NPC287660 C10H16 (1R,5R)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane 136.1252005 1.0301 2.56 4.222 0 0 0 1 2 10 0
NPC287731 C15H24 (1aR,4R,7bS)-1,1,4,7-tetramethyl-1a,2,3,4,5,6,7,7b-octahydrocyclopropa[e]azulene 204.1878008 2.051 3.11 5.835 0 0 0 0 3 15 1
NPC28853 C12H22O2 (E)-dodec-2-enoic acid 198.1619799 -1.5878 2.56 5.183 2 1 37.3 9 0 14 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
NPC288991 C10H16 136.1252005 3.3777 2.56 4.152 0 0 0 6 0 10 0
NPC289120 C15H26O (1aR,4R,4aR,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
NPC28933 C10H16 (3E)-2,4,6-trimethylhepta-1,3,6-triene 136.1252005 3.6782 2.56 3.852 0 0 0 3 0 10 0
NPC289669 C10H12O 3-propan-2-ylbenzaldehyde 148.088815 0.3805 2.45 4.48 1 0 17.07 2 1 11 0
NPC289758 C6H12O6 180.0633881 -2.5134 1.46 -1.697 6 5 110.38 6 1 12 0
NPC289785 C17H24O2 heptadeca-1,9-dien-4,6-diyne-3,8-diol 260.17763 0.2016 3.11 4.573 2 2 40.46 8 0 19 0
NPC289974 C5H10O 86.07316494 0.4153 1.9 1.664 1 0 17.07 4 0 6 0
NPC290078 C15H24 (1S,8aS)-4,7-dimethyl-1-propan-2-yl-1,2,3,5,6,8a-hexahydronaphthalene 204.1878008 2.2115 3.11 5.46 0 0 0 1 2 15 1
NPC290319 C18H32O2 (9E,12Z)-octadeca-9,12-dienoic acid 280.2402303 -0.9485 3.22 7.865 2 1 37.3 14 0 20 2
NPC290905 C10H16O (3R)-6,6-dimethyl-4-methylidenebicyclo[3.1.1]heptan-3-ol 152.1201151 0.7964 2.45 2.192 1 1 20.23 0 1 11 0
NPC291066 C10H8 Naphthalene 128.06 0 2.56 5.938 0 0 0 0 2 10 1
NPC291158 C18H38O Cetostearyl Alcohol 270.29 -5.0054 3.33 8.817 1 1 20.23 18 0 19 2
NPC291224 C6H12O (3R)-hex-1-en-3-ol 100.088815 -0.3279 2.01 1.569 1 1 20.23 3 0 7 0
NPC291255 C12H14O2 (3E)-3-butylidene-4,5-dihydro-2-benzofuran-1-one 190.0993797 0.8112 2.56 2.819 2 0 26.3 2 2 14 0
NPC291517 C6H7NO 2-Acetylpyrrole 109.05 -0.6743 1.9 0.712 2 1 32.86 2 1 8 0
NPC292559 C15H22 1-methyl-4-[(1R)-1,2,2-trimethylcyclopentyl]benzene 202.1721507 1.6652 3.11 8.303 0 0 0 1 2 15 1
NPC292792 C11H14O2 Methyleugenol 178.1 0.9251 2.45 3.003 0 0 18.46 6 1 13 0
NPC293378 C6H8O7 Citric Acid 192.03 -1.395 1.35 -2.247 7 4 132.13 9 0 13 0
NPC294136 C15H24 (1R,9S)-11,11-dimethyl-4,8-dimethylidenebicyclo[7.2.0]undecane 204.1878008 2.3454 3.11 6.089 0 0 0 0 2 15 1
NPC294548 C18H30O2 Linolenic Acid 278.22 -0.0979 3.22 7.538 2 1 37.3 15 0 20 2
NPC294703 C4H10O Butyl Alcohol 74.07 -0.9734 1.79 0.851 1 1 20.23 4 0 5 0
NPC294902 C9H8O4 Caffeic Acid 180.04 -0.7993 2.01 1.141 2 3 77.76 5 1 13 0
NPC296337 C10H16 136.1252005 2.1434 2.56 4.181 0 0 0 3 2 10 0
NPC296377 C20H24O9 Nodakenin 408.14 -1.4852 2.67 0.985 7 4 134.91 10 4 29 0
NPC297422 C15H26O (1aS,4S,4aS,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
NPC297643 C15H24 204.1878008 3.3746 3.11 5.551 0 0 0 7 1 15 1
NPC29883 C7H6O3 Paraben 138.03 -0.7001 1.9 1.07 2 2 57.53 3 1 10 0
NPC299055 C14H28O (Z)-tetradec-7-en-1-ol 212.2140155 -1.7224 2.89 6.025 1 1 20.23 11 0 15 2
NPC29988 C10H16O (1S,3S,6R)-6-methyl-3-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane 152.1201151 1.5647 2.45 2.292 1 0 12.53 1 2 11 0
NPC300189 C10H16O 152.1201151 0.8419 2.45 2.533 1 0 12.53 3 2 11 0
NPC300250 C15H22 1-methyl-4-[(1S)-1,2,2-trimethylcyclopentyl]benzene 202.1721507 1.6652 3.11 8.303 0 0 0 1 2 15 1
NPC300825 C11H24O undecan-3-ol 172.1827154 -2.7121 2.56 4.514 1 1 20.23 8 0 12 0
NPC301439 C11H14O2 1-(2-hydroxyphenyl)pentan-1-one 178.0993797 -1.214 2.45 3.366 1 1 37.3 4 1 13 0
NPC301696 C8H16O2 Octanoic Acid 144.12 -1.5937 2.12 3.018 2 1 37.3 8 0 10 0
NPC301771 C15H24 2,4a,8,8-tetramethyl-1,1a,4,5,6,7-hexahydrocyclopropa[j]naphthalene 204.1878008 2.0791 3.11 6.695 0 0 0 0 3 15 1
NPC302003 C5H9NO2 D-Proline 115.06 -1.3817 1.68 -0.185 3 2 49.33 2 1 8 0
NPC302327 C12H26 170.2034508 -2.7774 2.78 7.168 0 0 0 11 0 12 1
NPC302857 C16H18O9 Chlorogenic Acid 354.1 -2.1962 2.23 -0.447 7 6 164.75 11 2 25 1
NPC303153 C30H50 (5aS,11aS,13bR)-3a,5a,8,8,11a,13a-hexamethyl-3-propan-2-yl-1,2,3,4,5,6,7,7a,9,10,11,12,13,13b-tetradecahydrocyclopenta[a]chrysene 410.3912516 3.272 4.76 13.21 0 0 0 1 5 30 1
NPC303230 C12H16O4 224.104859 -1.2216 2.34 1.183 4 2 66.76 5 2 16 0
NPC30433 C10H14O 150.1044651 2.2294 2.45 2.45 1 0 17.07 4 1 11 0
NPC304552 C55H90O25 1150.577118 -6.8723 4.76 0.81 25 13 373.75 12 11 80 3
NPC304927 C5H10O 86.07316494 -0.1343 1.9 1.449 1 0 17.07 4 0 6 0
NPC30508 C11H18 6-butylcyclohepta-1,4-diene 150.1408506 0.4852 2.67 5.351 0 0 0 3 1 11 1
NPC305327 C15H24 (1S,4aR,8aS)-4,7-dimethyl-1-propan-2-yl-1,2,4a,5,8,8a-hexahydronaphthalene 204.1878008 2.2008 3.11 5.901 0 0 0 1 2 15 1
NPC305607 C5H5NO 1H-Pyridin-4-One 95.04 -1.004 1.79 0.433 2 1 29.1 0 1 7 0
NPC30594 C12H12O2 Z-Butylidenephthalide 188.08 -0.0512 2.56 4.128 2 0 26.3 3 2 14 0
NPC307 C10H12O 148.088815 1.0301 2.45 3.577 1 0 17.07 4 1 11 0
NPC307113 C12H13NO2 2-(1H-indol-3-yl)ethyl acetate 203.0946287 -0.2344 2.45 2.528 3 1 42.09 4 2 15 0
NPC307270 C55H88O28 1196.546212 -7.6485 4.43 -1.772 28 15 431.28 12 11 83 3
NPC307651 C17H20O4 288.1361591 0.546 2.89 4.496 4 0 52.6 9 2 21 0
NPC308108 C10H14O 150.1044651 1.2447 2.45 1.87 1 0 17.07 3 1 11 0
NPC30853 C10H14O 2,6,6-trimethylbicyclo[3.1.1]hept-2-en-4-one 150.1044651 1.2447 2.45 1.87 1 0 17.07 0 1 11 0
NPC30856 C50H82O22 Degalactotigonin 1034.53 -6.1361 4.54 1.401 22 12 335.06 27 10 72 3
NPC310478 C15H26O 2-(4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl)propan-2-ol 222.1983655 0.6981 3 4.83 1 1 20.23 1 2 16 0
NPC310562 C19H18O5 5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-6,8-dimethylchromen-4-one 326.1154237 0.2165 3 2.829 1 1 64.99 3 3 24 0
NPC310820 C6H10O (Z)-hex-2-enal 98.07316494 0.1876 2.01 1.85 1 0 17.07 3 0 7 0
NPC311029 C13H22O (5S,6E)-8-methyl-5-propan-2-ylnona-6,8-dien-2-one 194.1670653 1.925 2.78 4.446 1 0 17.07 6 0 14 0
NPC311818 C16H32O (E)-hexadec-2-en-1-ol 240.2453156 -2.842 3.11 7.363 1 1 20.23 13 0 17 2
NPC31194 C17H24O2 Falcarindiol 260.18 0.2016 3.11 4.573 2 2 40.46 11 0 19 0
NPC312132 C10H14O Carvacrol 150.1 0.7546 2.45 3.556 0 1 20.23 5 1 11 0
NPC31279 C10H10O2 Safrole 162.07 0.726 2.34 2.93 0 0 18.46 2 2 12 0
NPC31371 C15H24 (1R,4Z,8Z,10S)-4,8,11,11-tetramethylbicyclo[8.1.0]undeca-4,8-diene 204.1878008 3.2134 3.11 5.999 0 0 0 0 2 15 1
NPC3155 C12H20O2 [(1R,3S,4R)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] acetate 196.1463299 1.3223 2.56 3.474 2 0 26.3 2 2 14 0
NPC31551 C11H20O4 216.1361591 -1.348 2.23 2.355 4 0 52.6 12 0 15 0
NPC31786 C10H10O4 194.0579088 0.0224 2.12 2.334 4 0 52.6 6 1 14 0
NPC31789 C10H16O 2-(2,2,3-trimethylcyclopent-3-en-1-yl)acetaldehyde 152.1201151 1.4271 2.45 2.924 1 0 17.07 2 1 11 0
NPC32098 C12H12O2 3-butylidene-2-benzofuran-1-one 188.0837296 -0.0512 2.56 4.128 2 0 26.3 2 2 14 0
NPC32222 C15H26O 222.1983655 1.3573 3 5.176 1 1 20.23 5 3 16 1
NPC32279 C7H14O Heptanal 114.1 -1.2583 2.12 2.863 1 0 17.07 6 0 8 0
NPC325929 C20H28O4 332.2 -0.2073 3.22 4.117 4 2 66.76 15 0 24 1
NPC327760 C13H18O4 238.12 -0.8131 2.45 1.273 4 1 55.76 6 2 17 0
NPC32833 C28H30O9 510.1889825 -0.5869 3.55 0.685 9 1 125.43 0 8 37 0
NPC3292 C7H8O2 2-deuterio-6-methoxyphenol 124.0524295 -0.5121 2.01 1.389 0 1 29.46 1 1 9 0
NPC33184 C11H22 undec-5-ene 154.1721507 -0.3584 2.67 6.083 0 0 0 7 0 11 1
NPC33320 C12H8O4 Methoxsalen 216.04 0.0641 2.34 1.69 1 0 48.67 2 3 16 0
NPC33378 C28H30O10 Physalin F 526.18 -1.2344 3.44 -0.4 10 1 137.96 4 9 38 0
NPC3343 C3H4O4 Malonic Acid 104.01 -0.4448 1.35 -0.299 4 2 74.6 4 0 7 0
NPC33489 C9H16O 2-Nonenal 140.12 -0.6764 2.34 3.557 1 0 17.07 7 0 10 0
NPC3357 C4H6O5 (2S)-2-hydroxybutanedioic acid 134.0215233 -1.0622 1.35 -1.474 5 3 94.83 3 0 9 0
NPC33761 C8H14O 126.1044651 -0.3884 2.23 2.988 1 0 17.07 6 0 9 0
NPC33986 C14H14O4 Columbianetin 246.09 0.2617 2.56 2.093 2 1 55.76 4 3 18 0
NPC34764 C10H16 1-Methyl-4-Prop-1-En-2-Ylcyclohexene 136.13 2.1424 2.56 3.729 0 0 0 3 1 10 0
NPC34908 C4H8N2O3 (2S)-4-amino-2-azaniumyl-4-oxobutanoate 132.0534921 -1.1936 1.35 -3.301 5 4 107.4 3 0 9 0
NPC35115 C18H23NO2 2,12-dimethoxy-2,4a,5,6,8,9-hexahydro-1H-indolo[7a,1-a]isoquinoline 285.172879 -0.0176 3.11 2.599 2 0 21.7 2 4 21 0
NPC35599 C10H15NO2S 213.0823497 -1.4496 2.12 2.831 3 1 54.55 6 1 14 0
NPC36108 C10H12O2 Isoeugenol 164.08 0.3952 2.34 2.805 0 1 29.46 5 1 12 0
NPC36342 C10H12O 148.088815 -0.4657 2.45 3.753 1 0 17.07 4 1 11 0
NPC36408 C15H24 (1R,2R,4S)-1-ethenyl-1-methyl-2,4-bis(prop-1-en-2-yl)cyclohexane 204.1878008 3.2309 3.11 6.071 0 0 0 3 1 15 1
NPC3649 C10H16 136.1252005 2.7208 2.56 3.326 0 0 0 3 1 10 0
NPC3693 C6H12O2 Acetic Acid Butyl Ester 116.08 -0.5943 1.9 1.591 2 0 26.3 6 0 8 0
NPC37250 C16H18O9 354.0950822 -2.1962 2.23 -0.447 7 6 164.75 11 2 25 1
NPC37479 C4H8O Butanal 72.06 -0.3943 1.79 1.156 1 0 17.07 3 0 5 0
NPC37622 C12H12O2 (E)-Butylidenephthalide 188.08 -0.0512 2.56 4.128 2 0 26.3 3 2 14 0
NPC3780 C25H32O12 [(1S,4aR,7S,7aS)-7-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-5-yl] (Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate 524.1893765 -3.2371 2.89 0.488 10 6 184.6 8 4 37 1
NPC38497 C8H14O 126.1044651 1.5927 2.23 1.796 1 0 17.07 6 0 9 0
NPC3857 C14H22N2O3S ethyl (2E)-2-(3-ethyl-4-oxo-5-piperidin-1-yl-1,3-thiazolidin-2-ylidene)acetate 298.1351136 0.2505 2.34 1.455 5 0 75.15 5 2 20 0
NPC39068 C15H26O 222.1983655 2.2108 3 4.711 1 1 20.23 8 1 16 0
NPC39633 C19H34O2 294.2558803 -0.6975 3.33 8.186 2 0 26.3 17 0 21 2
NPC39869 C6H14O 102.1044651 0.0918 2.01 1.928 1 1 20.23 6 0 7 0
NPC40965 C8H16O2 144.1150298 -1.1703 2.12 2.729 2 0 26.3 8 0 10 0
NPC42403 C11H22O 170.1670653 -2.1838 2.56 4.421 1 0 17.07 10 0 12 0
NPC42471 C9H14O 138.1044651 -0.7112 2.34 3.58 0 0 13.14 5 1 10 0
NPC4309 C32H50O4 3-Acetylbetulinic Acid 498.37 2.7286 4.54 10.147 4 1 63.6 12 5 36 1
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
NPC45727 C10H16 136.1252005 1.7112 2.56 4.427 0 0 0 4 1 10 0
NPC46114 C17H34 heptadec-8-ene 238.2660511 -2.0864 3.33 9.497 0 0 0 13 0 17 2
NPC46330 C15H24 (3R,5S)-3,8-dimethyl-5-prop-1-en-2-yl-1,2,3,3a,4,5,6,7-octahydroazulene 204.1878008 2.3639 3.11 5.496 0 0 0 1 2 15 1
NPC46587 C10H16O 6,6-dimethyl-4-methylidenebicyclo[3.1.1]heptan-3-ol 152.1201151 0.7964 2.45 2.192 1 1 20.23 0 1 11 0
NPC47163 C19H20O5 328.1310737 1.9846 3 3.83 3 0 61.83 7 3 24 0
NPC47226 C8H8O2 2-phenylacetate 135.0446045 -0.8828 2.12 2.599 2 0 40.13 2 1 10 0
NPC473772 C39H64O5 612.48 -0.7363 5.2 14.719 5 1 72.83 35 0 44 2
NPC474577 C17H24O3 276.17 -1.0647 3 3.663 3 2 52.99 11 1 20 0
NPC47570 C11H16 3-methylbutylbenzene 148.1252005 0.8909 2.67 6.6 0 0 0 3 1 11 1
NPC47993 C7H12O6 (3S,5S)-1,3,4,5-tetrahydroxycyclohexane-1-carboxylic acid 192.0633881 -2.0059 1.57 -1.979 6 5 118.22 1 1 13 0
NPC49151 C9H18O 142.1357652 -1.8343 2.34 4.001 1 0 17.07 8 0 10 0
NPC50528 C45H73NO17 899.4878499 -5.6912 4.43 0.492 18 11 278.94 8 9 63 2
NPC51146 C11H6O3 Psoralen 186.03 0.1159 2.34 2.134 1 0 39.44 0 3 14 0
NPC51292 C24H26O4 378.1831093 -0.8001 3.66 6.497 4 0 52.6 6 3 28 1
NPC52230 C15H24O (7S)-1,1,7-trimethyl-4-methylidene-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulen-7-ol 220.1827154 1.7158 3 4.157 1 1 20.23 0 3 16 0
NPC52309 C10H18O2 (5S)-5-hexyloxolan-2-one 170.1306798 -1.7834 2.34 3.313 2 0 26.3 5 1 12 0
NPC52403 C5H12O 1-Pentanol 88.09 -1.2614 1.9 1.42 1 1 20.23 5 0 6 0
NPC52607 C24H48O2 tetracosanoic acid 368.3654308 -6.2017 3.88 12.122 2 1 37.3 22 0 26 2
NPC52700 C10H18O2 170.1306798 -1.7834 2.34 3.313 2 0 26.3 6 1 12 0
NPC52897 C15H26O 2-[(2R,4aS,8R)-4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl]propan-2-ol 222.1983655 0.8535 3 4.478 1 1 20.23 1 2 16 0
NPC5326 C18H32O2 (9Z,12E)-octadeca-9,12-dienoic acid 280.2402303 -0.9485 3.22 7.865 2 1 37.3 14 0 20 2
NPC53720 C15H26O 2-[(2S,4aS)-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]propan-2-ol 222.1983655 0.6981 3 4.83 1 1 20.23 1 2 16 0
NPC54235 C12H18O2 (6,6-dimethyl-4-methylidene-3-bicyclo[3.1.1]heptanyl) acetate 194.1306798 1.1755 2.56 2.932 2 0 26.3 2 1 14 0
NPC55063 C17H24O (3R,9Z)-Heptadeca-1,9-Dien-4,6-Diyn-3-Ol 244.18 1.0335 3.22 6.197 1 1 20.23 10 0 18 1
NPC55529 C9H7NO2 161.0476785 -0.656 2.12 1.574 3 0 37.38 1 2 12 0
NPC56223 C27H30O17 626.1482995 -6.639 2.56 -1.891 12 11 285.75 7 5 44 2
NPC56857 C10H18O (6,6-dimethyl-4-bicyclo[3.1.1]heptanyl)methanol 154.1357652 0.3926 2.45 3.167 1 1 20.23 1 1 11 0
NPC57488 C12H18O2 3-butyl-4,5,6,7-tetrahydro-3H-2-benzofuran-1-one 194.1306798 -1.3288 2.56 2.95 2 0 26.3 3 2 14 0
NPC58131 C15H24 204.1878008 1.4804 3.11 6.74 0 0 0 0 3 15 1
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
NPC59405 C8H8O3 4-methoxybenzoate 151.0395191 -0.9694 2.01 1.108 2 0 49.36 2 1 11 0
NPC59581 C6H12O 100.088815 -0.9703 2.01 2.294 1 0 17.07 5 0 7 0
NPC59815 C10H16O 5-methyl-2-prop-1-en-2-ylcyclohexan-1-one 152.1201151 1.4248 2.45 2.096 1 0 17.07 1 1 11 0
NPC59936 C12H18O2 (3S,3aS)-3-butyl-3a,4,5,6-tetrahydro-3H-2-benzofuran-1-one 194.1306798 -0.7649 2.56 3.231 2 0 26.3 3 2 14 0
NPC60288 C15H24 204.1878008 4.4725 3.11 6.136 0 0 0 10 0 15 1
NPC61066 C5H10O2 2-Methylbutanoic Acid 102.07 -0.1817 1.79 1.035 2 1 37.3 5 0 7 0
NPC61198 C10H13N5O5 Guanosine 283.09 -2.2152 1.46 -1.643 10 6 156.21 6 3 20 1
NPC6150 C22H33NO 2-dodecyl-1-methylquinolin-4-one 327.2562147 -2.8071 3.66 8.911 2 0 20.31 11 2 24 2
NPC61779 C8H8O3 P-Anisic Acid 152.05 -0.2916 2.01 1.589 2 1 46.53 4 1 11 0
NPC61828 C15H24 1-ethenyl-1-methyl-4-propan-2-ylidene-2-prop-1-en-2-ylcyclohexane 204.1878008 3.8093 3.11 5.479 0 0 0 2 1 15 1
NPC62086 C10H16 136.1252005 1.3695 2.56 4.222 0 0 0 2 1 10 0
NPC62252 C10H18 4-methyl-1-propan-2-ylcyclohexene 138.1408506 1.3589 2.56 4.436 0 0 0 1 1 10 0
NPC63355 C17H24O2 (3S,8R,9E)-heptadeca-1,9-dien-4,6-diyne-3,8-diol 260.17763 0.2016 3.11 4.573 2 2 40.46 8 0 19 0
NPC63859 C6H10O7 (2S,3R,4S,5R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid 194.0426527 -2.4112 1.35 -1.54 7 5 127.45 1 1 13 0
NPC64176 C10H16 136.1252005 3.2403 2.56 4.314 0 0 0 6 0 10 0
NPC64250 C6H11NO2 129.0789786 -1.6697 1.79 0.173 3 2 49.33 2 1 9 0
NPC64370 C14H30 198.234751 -3.3534 3 8.306 0 0 0 13 0 14 2
NPC64381 C40H56 1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[(1S)-2,6,6-trimethylcyclohex-2-en-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene 536.4382018 9.6103 5.86 15.187 0 0 0 10 2 40 1
NPC64866 C9H14O 138.1044651 1.9489 2.34 1.982 1 0 17.07 3 1 10 0
NPC65611 C5H10O 2-methylbut-3-en-2-ol 86.07316494 0.8413 1.9 0.752 1 1 20.23 1 0 6 0
NPC66624 C7H14O 114.1044651 -1.0318 2.12 2.145 1 0 17.07 6 0 8 0
NPC67920 C10H18O 154.1357652 -0.9644 2.45 4.126 1 0 17.07 8 0 11 0
NPC67986 C12H20O2 [(3R)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] acetate 196.1463299 1.3223 2.56 3.474 2 0 26.3 2 2 14 0
NPC68873 C2H4O2 60.02112937 -0.2299 1.46 -0.08 2 1 37.3 2 0 4 0
NPC68889 C10H18O Linalool (+) 154.14 2.4692 2.45 2.468 1 1 20.23 8 0 11 0
NPC692 C27H30O16 610.1533849 -6.139 2.67 -1.188 11 10 265.52 6 5 43 2
NPC70744 C10H10O4 Ferulic Acid 194.06 -0.3908 2.12 1.231 2 2 66.76 6 1 14 0
NPC70756 C6H12O6 180.0633881 -2.5636 1.46 -1.74 6 5 110.38 6 1 12 0
NPC71506 C10H18O 154.1357652 1.1223 2.45 1.947 1 1 20.23 5 1 11 0
NPC71665 C15H24 204.1878008 1.8851 3.11 6.642 0 0 0 0 3 15 1
NPC71703 C10H16 (1S)-4,6,6-trimethylbicyclo[3.1.1]hept-3-ene 136.1252005 1.5162 2.56 4.177 0 0 0 0 1 10 0
NPC7208 C3H7NO2 2-azanylpropanoic acid 89.04767846 -1.0955 1.46 -2.824 3 2 63.32 1 0 6 0
NPC72699 C17H26O2 Oplopandiol 262.19 -0.7426 3.11 4.977 2 2 40.46 12 0 19 0
NPC72722 C17H32O4 2-Dodecyl-3-Methylbutanedioic Acid 300.23 -2.9026 2.89 6.135 4 2 74.6 18 0 21 2
NPC72735 C23H24O13 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one 508.1216908 -4.5354 2.56 -0.708 7 7 204.83 6 4 36 1
NPC73587 C15H24 1-methyl-4-(1,2,2-trimethylcyclopentyl)cyclohexa-1,3-diene 204.1878008 2.3344 3.11 5.87 0 0 0 1 2 15 1
NPC7403 C10H22 2-methylnonane 142.1721507 -0.5602 2.56 5.969 0 0 0 6 0 10 1
NPC74539 C12H8O4 Bergapten 216.04 0.0641 2.34 1.69 1 0 48.67 2 3 16 0
NPC7479 C27H44O3 416.3290453 0.3408 4.1 7.306 3 1 38.69 5 6 30 1
NPC7491 C15H24O 220.18 1.9144 3 4.607 1 0 12.53 3 3 16 0
NPC74993 C6H10O 4-methylpent-1-en-3-one 98.07316494 1.0713 2.01 1.02 1 0 17.07 2 0 7 0
NPC75121 C10H16O (1R,5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol 152.1201151 1.5693 2.45 1.699 1 1 20.23 1 1 11 0
NPC75204 C6H10O 98.07316494 0.1876 2.01 1.85 1 0 17.07 4 0 7 0
NPC75584 C15H26O (1aR,4S,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
NPC75742 C27H41NO5 459.2984734 -1.0802 3.77 3.155 6 4 99.02 1 6 33 0
NPC76145 C10H16 Limonene 136.13 2.1424 2.56 3.729 0 0 0 3 1 10 0
NPC76152 C15H24 2,5-dimethyl-8-prop-1-en-2-yl-1,2,3,4,4a,5,6,7-octahydronaphthalene 204.1878008 2.6134 3.11 6.127 0 0 0 1 2 15 1
NPC76336 C10H8O4 Scopoletin 192.04 -0.2421 2.12 1.088 1 1 55.76 3 2 14 0
NPC76902 C27H42O3 414.3133952 0.2771 4.1 6.041 3 1 38.69 0 6 30 1
NPC77184 C55H88O27 1180.551298 -8.1302 4.54 -2.581 27 14 411.05 12 11 82 3
NPC78207 C15H24 1,4a-dimethyl-7-propan-2-ylidene-1,2,3,4,5,6-hexahydronaphthalene 204.1878008 2.1932 3.11 5.652 0 0 0 0 2 15 1
NPC78551 C10H16 136.1252005 1.3695 2.56 4.222 0 0 0 2 1 10 0
NPC78659 C19H33NO2 [(Z)-3-cyano-2-methylprop-2-enyl] tetradecanoate 307.2511293 -2.3192 3.22 6.699 3 0 50.09 15 0 22 2
NPC78746 C14H14O4 Decursinol 246.09 0.2617 2.56 2.093 2 1 55.76 3 3 18 0
NPC79273 C15H24 204.1878008 1.8851 3.11 6.642 0 0 0 0 3 15 1
NPC79456 C10H16O (2E,4Z)-deca-2,4-dienal 152.1201151 0.0794 2.45 3.682 1 0 17.07 6 0 11 0
NPC79544 C6H12O 100.088815 -0.3279 2.01 1.569 1 1 20.23 5 0 7 0
NPC79835 C28H31ClO10 562.1605749 -0.7963 3.33 -0.129 10 2 145.66 0 8 39 0
NPC79858 C10H16O (3R)-6-methyl-3-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane 152.1201151 1.5647 2.45 2.292 1 0 12.53 1 2 11 0
NPC80027 C8H10O2 4-Ethylresorcinol 138.07 -0.6137 2.12 1.551 0 2 40.46 4 1 10 0
NPC80475 C10H18O2 (5R)-5-hexyloxolan-2-one 170.1306798 -1.7834 2.34 3.313 2 0 26.3 5 1 12 0
NPC80642 C10H22 2,4,6-trimethylheptane 142.1721507 1.404 2.56 5.847 0 0 0 4 0 10 1
NPC80710 C16H12O5 Calycosin 284.07 -1.6391 2.67 2.031 1 2 75.99 5 3 21 0
NPC81067 C24H34O6 418.2355388 -0.2574 3.44 3.784 2 0 55.38 19 2 30 1
NPC82098 C16H26 1,5,5-trimethyl-6-(4-methylcyclohex-3-en-1-yl)cyclohexene 218.2034508 3.1334 3.22 6.568 0 0 0 1 2 16 1
NPC82295 C8H7N Indole 117.06 -0.4204 2.23 2.45 1 1 15.79 0 2 9 0
NPC8235 C8H10 P-Xylene 106.08 1.284 2.34 4.708 0 0 0 2 1 8 0
NPC82533 C17H19NO4 Crinamine 301.13 -1.1196 2.78 0.478 3 1 51.16 3 5 22 0
NPC82648 C11H24 156.1878008 -2.4894 2.67 6.599 0 0 0 10 0 11 1
NPC83394 C8H16O octan-4-one 128.1201151 -0.9556 2.23 2.398 1 0 17.07 5 0 9 0
NPC83628 C12H14O2 190.0993797 -0.9542 2.56 4.211 2 0 26.3 4 2 14 0
NPC83733 C19H21NO5 343.1419728 -1.0077 2.89 2.598 3 3 91.51 7 2 25 0
NPC83798 C17H24O (3R,9E)-heptadeca-1,9-dien-4,6-diyn-3-ol 244.1827154 1.0335 3.22 6.197 1 1 20.23 8 0 18 1
NPC8547 C10H14O2 166.0993797 -0.6864 2.34 2.85 0 1 29.46 6 1 12 0
NPC85665 C10H16O 2,2,4-trimethyl-3-oxabicyclo[2.2.2]oct-5-ene 152.1201151 1.2675 2.45 2.034 1 0 9.23 0 0 11 0
NPC85813 C18H32O2 Linoleic Acid 280.24 -0.9485 3.22 7.865 2 1 37.3 16 0 20 2
NPC86538 C15H24 Bicyclogermacrene 204.19 3.2134 3.11 5.999 0 0 0 4 2 15 1
NPC86564 C10H16O (5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol 152.1201151 1.5693 2.45 1.699 1 1 20.23 1 1 11 0
NPC8661 C16H32 (Z)-hexadec-7-ene 224.250401 -1.7984 3.22 8.928 0 0 0 12 0 16 2
NPC86831 C20H23N7O7 (2S)-2-[[4-[[(6S)-2-amino-5-formyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]pentanedioic acid 473.1658961 -3.7521 2.12 -0.04 14 8 216.54 11 3 34 3
NPC87099 C12H12 1,3-Dimethylnaphthalene 156.09 1.284 2.78 6.584 0 0 0 2 2 12 1
NPC87563 C10H8O3 176.0473441 0.2182 2.23 2.051 1 0 35.53 2 2 13 0
NPC87682 C17H34 (Z)-heptadec-8-ene 238.2660511 -2.0864 3.33 9.497 0 0 0 13 0 17 2
NPC87828 C12H20O2 196.1463299 1.3223 2.56 3.474 2 0 26.3 6 2 14 0
NPC88186 C45H73NO15 867.4980206 -4.2126 4.65 2.664 16 9 240.69 8 9 61 2
NPC88445 C16H14O4 Isoimperatorin 270.09 1.5296 2.78 2.891 1 0 48.67 5 3 20 0
NPC88481 C27H35NO6 [(3S,8S,10R,12R,13S,14R,17S)-17-acetyl-3,8,14-trihydroxy-10,13-dimethyl-2,3,4,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-12-yl] pyridine-3-carboxylate 469.2464378 -1.0929 3.66 1.759 7 3 116.95 4 5 34 0
NPC88566 C10H14 134.1095504 1.2149 2.56 5.785 0 0 0 4 1 10 1
NPC88839 C4H10O Isobutanol 74.07 0.1242 1.79 0.579 1 1 20.23 4 0 5 0
NPC89422 C15H32 212.250401 -3.6414 3.11 8.875 0 0 0 14 0 15 2
NPC89591 C17H16O5 9-methoxy-5-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one 300.0997736 1.031 2.78 2.798 2 0 57.9 4 3 22 0
NPC89886 C8H6O2 Phthalide 134.04 -0.0795 2.12 2.255 2 0 26.3 0 2 10 0
NPC90226 C12H16O2 (3S)-3-butyl-4,5-dihydro-3H-2-benzofuran-1-one 192.1150298 -0.0918 2.56 2.799 2 0 26.3 3 2 14 0
NPC90518 C11H18 (6R)-6-butylcyclohepta-1,4-diene 150.1408506 0.4852 2.67 5.351 0 0 0 3 1 11 1
NPC91226 C17H24O2 (3S,8S,9Z)-heptadeca-1,9-dien-4,6-diyne-3,8-diol 260.17763 0.2016 3.11 4.573 2 2 40.46 8 0 19 0
NPC91574 C15H24 (1R,8aR)-4,7-dimethyl-1-propan-2-yl-1,2,3,5,6,8a-hexahydronaphthalene 204.1878008 2.2115 3.11 5.46 0 0 0 1 2 15 1
NPC91604 C27H43NO 397.334465 0.5281 4.21 6.143 2 1 23.47 5 6 29 1
NPC92475 C12H20O2 (6,6-dimethyl-4-bicyclo[3.1.1]heptanyl)methyl acetate 196.1463299 0.7717 2.56 3.907 2 0 26.3 3 1 14 0
NPC92656 C16H29O2 hexadecanoic acid 253.2167552 -1.7893 3 7.894 2 1 37.3 14 0 18 2
NPC93077 C5H12N2O2 [(1S)-4-azaniumyl-1-carboxybutyl]azanium 134.1055277 -3.8491 1.57 -0.073 2 3 92.58 4 0 9 0
NPC93081 C5H12N2O2 132.0898776 -2.4611 1.57 -3.307 4 3 89.34 7 0 9 0
NPC93135 C10H12O 2,4,5-trimethylbenzaldehyde 148.088815 1.7336 2.45 4.049 1 0 17.07 1 1 11 0
NPC93219 C14H14O3 230.0942943 1.6871 2.67 3.002 1 1 46.53 5 2 17 0
NPC93617 C4H9NO3 (2S,3R)-2-amino-3-hydroxybutanoate 118.0504181 -2.284 1.46 -3.977 4 2 86.38 2 0 8 0
NPC93843 C10H14O 150.1044651 0.1242 2.45 3.809 1 1 20.23 5 1 11 0
NPC93888 C4H9NO3 119.0582431 -1.6062 1.46 -3.496 4 3 83.55 6 0 8 0
NPC94196 C6H12O2 116.0837296 -0.0853 1.9 0.183 2 1 37.3 6 0 8 0
NPC94467 C15H32O (2S)-pentadecan-2-ol 228.2453156 -3.8641 3 7.001 1 1 20.23 12 0 16 2
NPC95381 C11H12O4 Ethyl Caffeate 208.07 -0.2979 2.23 1.885 2 2 66.76 7 1 15 0
NPC95675 C15H24 204.1878008 1.7635 3.11 6.499 0 0 0 1 1 15 1
NPC95920 C27H43NO2 413.33 0.0108 4.1 5.845 3 2 41.49 5 6 30 1
NPC95969 C15H26O 222.1983655 1.2587 3 5.078 1 1 20.23 5 3 16 1
NPC95995 C12H24O (E)-dodec-1-en-1-ol 184.1827154 -2.1666 2.67 5.832 1 1 20.23 9 0 13 1
NPC96004 C24H26O4 378.1831093 -0.8001 3.66 6.497 4 0 52.6 4 3 28 1
NPC96988 C11H22O undecan-6-one 170.1670653 -1.8196 2.56 4.105 1 0 17.07 8 0 12 0
NPC98049 C15H28O2 2-hydroxycyclopentadecan-1-one 240.2089301 -4.3024 2.89 5.495 2 1 37.3 0 1 17 1
NPC98179 C14H14O4 246.0892089 0.2617 2.56 2.093 2 1 55.76 4 3 18 0
NPC9880 C12H20O2 196.1463299 1.3223 2.56 3.474 2 0 26.3 6 2 14 0
NPC98824 C15H22 1,1,7-trimethyl-4-methylidene-2,3,6,7,7a,7b-hexahydro-1aH-cyclopropa[e]azulene 202.1721507 1.916 3.11 6.209 0 0 0 0 3 15 1
NPC98925 C7H16 100.1252005 -1.3374 2.23 4.323 0 0 0 6 0 7 0
NPC99480 C15H24O 220.1827154 1.7158 3 4.157 1 1 20.23 4 3 16 0

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