722 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.



132 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
NPC100164 C14H20O 1-(2,4,5-triethylphenyl)ethanone 204.1514153 0.6668 2.89 5.607 1 0 17.07 4 1 15 1
NPC100502 C10H16O 4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-ol 152.1201151 0.9431 2.45 2.147 1 1 20.23 0 1 11 0
NPC100551 C7H6O3 Salicylic Acid 138.03 -0.7001 1.9 2.264 2 2 57.53 3 1 10 0
NPC100570 C15H24 204.1878008 2.4838 3.11 6.597 0 0 0 0 3 15 1
NPC100879 C15H24 204.1878008 3.953 3.11 5.148 0 0 0 4 1 15 1
NPC100980 C6H6O Phenol 94.04 -0.4603 2.01 2.044 0 1 20.23 1 1 7 0
NPC100997 C7H14O 114.1044651 0.6094 2.12 2.084 1 0 17.07 6 0 8 0
NPC101119 C18H20 1,1,3-trimethyl-3-phenyl-2H-indene 236.1565006 1.6426 3.44 10.072 0 0 0 1 3 18 1
NPC101285 C15H24O 220.1827154 1.9144 3 4.607 1 0 12.53 3 3 16 0
NPC102217 C15H26O (1S,4S)-4-methyl-1-(6-methylhept-5-en-2-yl)bicyclo[3.1.0]hexan-4-ol 222.1983655 2.1302 3 4.683 1 1 20.23 4 2 16 0
NPC103213 C15H26O Farnesol 222.2 3.5719 3 4.346 1 1 20.23 12 0 16 0
NPC103671 C13H22O2 [(2E)-3,7-dimethylocta-2,6-dienyl] propanoate 210.1619799 2.795 2.67 3.517 2 0 26.3 7 0 15 0
NPC103711 C15H24 (3Z,6Z)-3,7,11-trimethyldodeca-1,3,6,10-tetraene 204.1878008 4.4725 3.11 6.136 0 0 0 6 0 15 1
NPC104241 C20H32O4 (5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)tridecan-3-one 336.2300595 -3.1193 3.22 4.594 2 2 66.76 13 1 24 1
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
NPC104724 C15H24 (1R,4S)-4,7-dimethyl-1-propan-2-yl-1,2,3,4,5,6-hexahydronaphthalene 204.1878008 2.2988 3.11 5.643 0 0 0 1 2 15 1
NPC105246 C15H24 204.1878008 3.2309 3.11 6.071 0 0 0 6 1 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
NPC10557 C17H22O4 (E)-1-(4-hydroxy-3-methoxyphenyl)dec-1-ene-3,5-dione 290.1518092 -1.4217 2.89 3.499 2 1 63.6 9 1 21 0
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
NPC10571 C15H22O (2Z,6Z,10E)-2,6,9,9-tetramethylcycloundeca-2,6,10-trien-1-one 218.1670653 3.4791 3 4.143 1 0 17.07 0 1 16 0
NPC106250 C15H24O 220.1827154 1.9144 3 4.607 1 0 12.53 0 3 16 0
NPC107540 C10H16O 152.1201151 0.4255 2.45 2.296 1 1 20.23 4 1 11 0
NPC108482 C23H38O4 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)hexadecan-3-one 378.2770097 -3.9833 3.55 6.301 2 2 66.76 16 1 27 2
NPC108494 C15H26O 222.1983655 3.7014 3 4.29 1 1 20.23 12 0 16 0
NPC109813 C15H24 Beta-Caryophyllene 204.19 3.2289 3.11 6.044 0 0 0 3 2 15 1
NPC109838 C15H24 (1S)-1,6-dimethyl-4-propan-2-yl-1,2,3,4,4a,7-hexahydronaphthalene 204.1878008 2.2881 3.11 6.091 0 0 0 1 2 15 1
NPC110446 C20H30O3 (3Z)-3-[2-(5,5,8a-trimethylspiro[3,4,4a,6,7,8-hexahydro-1H-naphthalene-2,2'-oxirane]-1-yl)ethylidene]oxolan-2-one 318.2194948 1.4525 3.33 5.307 3 0 38.83 2 4 23 1
NPC110884 C7H16O 116.1201151 -1.5601 2.12 2.449 1 1 20.23 7 0 8 0
NPC111888 C8H8O4 Vanillic Acid 168.04 -0.7519 1.9 0.626 2 2 66.76 5 1 12 0
NPC112380 C43H32O20 Theaflavin Digallate 868.15 -6.1777 3.99 1.428 6 13 351.12 21 8 63 1
NPC112439 C15H24 (5S)-4-methyl-1-[(2R)-6-methylhept-5-en-2-yl]bicyclo[3.1.0]hex-3-ene 204.1878008 3.2567 3.11 6.104 0 0 0 4 2 15 1
NPC113184 C14H20O2 220.1463299 0.8575 2.78 1.902 2 0 29.6 1 3 16 0
NPC113286 C15H22O 3,7,11-trimethyldodeca-2,4,6,10-tetraenal 218.1670653 3.8713 3 4.481 1 0 17.07 6 0 16 0
NPC11368 C5H12O (2R)-2-methylbutan-1-ol 88.088815 -0.552 1.9 1.148 1 1 20.23 2 0 6 0
NPC114011 C15H24 (1S,2S)-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
NPC114239 C10H16 136.1252005 1.5162 2.56 4.177 0 0 0 3 1 10 0
NPC114298 C15H20O3 (E)-1-(4-Hydroxy-3-Methoxyphenyl)Oct-4-En-3-One 248.14 -0.2987 2.78 3.087 1 1 46.53 10 1 18 0
NPC114586 C2H2O2 Oxaldehyde 58.01 0.7362 1.46 -0.526 2 0 34.14 1 0 4 0
NPC116115 C15H24 (3R)-3-[(2S)-6-methylhept-5-en-2-yl]-6-methylidenecyclohexene 204.1878008 3.1924 3.11 6.399 0 0 0 4 1 15 1
NPC116775 C15H10O6 Kaempferol 286.05 -2.3409 2.45 1.915 2 4 107.22 5 3 21 0
NPC117237 C8H8O3 Isovanillin 152.05 -0.7045 2.01 1.04 1 1 46.53 4 1 11 0
NPC117493 C20H40O (7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-ol 296.3079159 1.7816 3.55 8.949 1 1 20.23 13 0 21 2
NPC118759 C15H24O (5S)-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-en-9-one 220.1827154 1.8198 3 4.992 1 0 17.07 1 2 16 0
NPC119267 C10H16O deca-2,4-dienal 152.1201151 0.0794 2.45 3.682 1 0 17.07 6 0 11 0
NPC119271 C12H14O4 Diethyl Phthalate 222.09 0.5232 2.34 3.18 4 0 52.6 8 1 16 0
NPC12022 C19H30O4 8-Gingerol 322.21 -2.8313 3.11 4.025 2 2 66.76 16 1 23 1
NPC120592 C14H28 2-methyltridec-1-ene 196.2191009 -1.3244 3 7.433 0 0 0 10 0 14 1
NPC120902 C19H22O8S 1,7-bis(3,4-dihydroxyphenyl)-5-oxoheptane-3-sulfonic acid 410.1035387 -2.7905 2.56 1.237 4 5 160.74 9 2 28 0
NPC120926 C15H24 Germacrene D 204.19 2.7967 3.11 6.294 0 0 0 4 1 15 1
NPC120944 C4H10S 1,1,1,2,2-pentadeuterio-2-ethylsulfanylethane 90.05032132 1.296 1.79 2.027 0 0 25.3 2 0 5 0
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
NPC122487 C15H20 4,7-dimethyl-1-propan-2-yl-1,2-dihydronaphthalene 200.1565006 2.1572 3.11 7.326 0 0 0 1 2 15 1
NPC12269 C15H24 (1aS,4aR,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
NPC122858 C15H26O 4-methyl-1-(6-methylhept-5-en-2-yl)bicyclo[3.1.0]hexan-4-ol 222.1983655 2.1302 3 4.683 1 1 20.23 4 2 16 0
NPC12319 C10H16O 152.1201151 2.4893 2.45 2.701 1 0 17.07 7 0 11 0
NPC123228 C20H22O4 1-(4-Hydroxy-3-Methoxyphenyl)-7-(4-Hydroxyphenyl)Hept-4-En-3-One 326.15 -0.4599 3.22 3.976 1 2 66.76 11 2 24 0
NPC124876 C15H24 204.1878008 1.0459 3.11 6.544 0 0 0 1 3 15 1
NPC125017 C15H26O 2-[(2R,4aS)-4a,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]propan-2-ol 222.1983655 1.2945 3 4.04 1 1 20.23 1 2 16 0
NPC126029 C15H14O6 (-)-Epicatechin 290.08 -2.494 2.45 0.406 1 5 110.38 6 3 21 0
NPC126146 C20H24O7 5-[6-[2-(3,4-dihydroxyphenyl)ethyl]-4-hydroxyoxan-2-yl]-3-methoxybenzene-1,2-diol 376.1522031 -3.4602 2.89 1.756 2 5 119.61 5 3 27 0
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
NPC126759 C29H50O2 Alpha-Tochopherol 430.38 3.2935 4.43 10.938 0 1 29.46 21 2 31 2
NPC127878 C6H12O hex-3-en-1-ol 100.088815 -0.5056 2.01 1.473 1 1 20.23 3 0 7 0
NPC128061 C20H38O2 310.2871805 -1.8413 3.44 8.936 2 0 26.3 19 0 22 2
NPC128457 C33H44O4 2-[[(1R,4aR,7R,8aR)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-yl]oxy]-4-prop-2-enyl-6-(4-prop-2-enylphenoxy)phenol 504.3239599 1.9195 4.65 9.752 1 2 58.92 9 4 37 1
NPC128800 C15H24O 2-methyl-6-(4-methylcyclohex-3-en-1-yl)hept-2-en-4-one 220.1827154 2.3424 3 4.38 1 0 17.07 4 1 16 0
NPC12987 C15H14O2 226.0993797 -0.0443 2.89 5.129 0 1 29.46 5 2 17 1
NPC131524 C15H24 1-methyl-4-[(2R)-6-methylhept-5-en-2-yl]cyclohexa-1,4-diene 204.1878008 4.0296 3.11 5.779 0 0 0 4 1 15 1
NPC131769 C15H26O (1S,4S)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol 222.1983655 1.3641 3 4.476 1 1 20.23 1 2 16 0
NPC131805 C15H22O (Z)-2-methyl-6-(4-methylphenyl)hept-2-en-1-ol 218.1670653 1.7521 3 5.831 1 1 20.23 5 1 16 1
NPC131981 C10H16O Camphor 152.12 0.9693 2.45 2.127 1 0 17.07 3 2 11 0
NPC132205 C21H36O4 1-(4-hydroxy-3-methoxyphenyl)tetradecane-3,5-diol 352.2613596 -4.2998 3.33 5.572 2 3 69.92 14 1 25 2
NPC132658 C10H18O 2-methyl-6-methylideneoct-7-en-2-ol 154.1357652 1.3832 2.45 3.062 1 1 20.23 5 0 11 0
NPC134487 C38H42N2O7 638.2992017 4.65 7 0 75.69 4 6 47 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
NPC135353 C12H24O dodecanal 184.1827154 -2.6983 2.67 5.708 1 0 17.07 10 0 13 1
NPC135640 C10H18 (3R)-3,7-dimethylocta-1,6-diene 138.1408506 2.9083 2.56 4.681 0 0 0 4 0 10 0
NPC135836 C15H26O 2-[(1S,3R,4R)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]propan-2-ol 222.1983655 2.2108 3 4.711 1 1 20.23 3 1 16 0
NPC136555 C15H24O 220.1827154 1.3931 3 4.41 1 1 20.23 1 3 16 0
NPC137050 C3H6O2 Acetic Acid Methyl Ester 74.04 0.0211 1.57 0.241 2 0 26.3 3 0 5 0
NPC137153 C11H16N2O2 [3-(dimethylamino)-4-methylphenyl] N-methylcarbamate 208.1211778 1.095 2.23 2.508 3 1 45.06 3 1 15 0
NPC137302 C12H16N2O4 1-tert-butyl-3,5-dimethyl-2,4-dinitrobenzene 252.111007 4.1604 2.12 4.589 0 0 86.28 3 1 18 0
NPC137427 C21H26O6 Hexahydrocurcumin 374.17 -1.8923 3.11 1.983 2 3 96.22 15 2 27 0
NPC13789 C15H24O (-)-Caryophyllene Oxide 220.18 1.9144 3 4.607 1 0 12.53 3 3 16 0
NPC138113 C10H16 Myrcene 136.13 3.0936 2.56 4.17 0 0 0 6 0 10 0
NPC138149 C24H30O4 382.2144094 1.2423 3.66 5.11 2 1 55.76 7 4 28 1
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
NPC138586 C18H30O octadeca-9,12,15-trienal 262.2296656 -0.0505 3.33 7.952 1 0 17.07 13 0 19 2
NPC139029 C16H30O2 254.2245802 -1.7667 3 7.054 2 1 37.3 15 0 18 2
NPC139106 C15H24 1-methyl-4-(6-methylhept-5-en-2-yl)cyclohexa-1,4-diene 204.1878008 4.0296 3.11 5.779 0 0 0 4 1 15 1
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
NPC139557 C10H16 4-methyl-1-propan-2-ylbicyclo[3.1.0]hex-2-ene 136.1252005 1.0912 2.56 4.425 0 0 0 1 2 10 0
NPC139617 C10H12O3 180.0786442 -0.493 2.23 1.135 1 2 49.69 6 1 13 0
NPC13991 C10H16 Alpha-Pinene 136.13 1.5162 2.56 4.177 0 0 0 3 1 10 0
NPC141699 C12H20O2 196.1463299 1.5014 2.56 3.109 2 0 26.3 7 1 14 0
NPC141777 C10H16 136.1252005 1.3875 2.56 4.024 0 0 0 2 2 10 0
NPC14227 C11H22O2 186.1619799 -2.4577 2.45 4.725 2 1 37.3 11 0 13 0
NPC14269 C19H30O3 1-(4-hydroxy-3-methoxyphenyl)dodecan-3-one 306.2194948 -2.6086 3.22 5.477 1 1 46.53 12 1 22 2
NPC142871 C10H16 (6R)-3-methylidene-6-propan-2-ylcyclohexene 136.1252005 1.5645 2.56 4.472 0 0 0 1 1 10 0
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
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
NPC144880 C6H12O2 [(2S)-butan-2-yl] acetate 116.0837296 -0.317 1.9 1.482 2 0 26.3 3 0 8 0
NPC14576 C15H24 204.1878008 1.0459 3.11 6.544 0 0 0 1 3 15 1
NPC146197 C18H34O2 (Z)-9,10-dideuteriooctadec-9-enoic acid 282.2558803 -2.3427 3.22 8.192 2 1 37.3 15 0 20 2
NPC146289 C2H4O Acetaldehyde 44.03 -0.1825 1.57 0.334 1 0 17.07 1 0 3 0
NPC146423 C5H10O2 (3S)-3-methylbutanoic acid 102.0680796 0.3679 1.79 1.25 2 1 37.3 2 0 7 0
NPC14682 C10H18O (1S,4S)-4,7,7-trimethylbicyclo[2.2.1]heptan-3-ol 154.1357652 0.9432 2.45 2.734 1 1 20.23 0 2 11 0
NPC147221 C10H18O 4,6,6-trimethylbicyclo[3.1.1]heptan-4-ol 154.1357652 0.8417 2.45 2.756 1 1 20.23 0 1 11 0
NPC147288 C19H30O4 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dodecan-3-one 322.2144094 -2.8313 3.11 4.025 2 2 66.76 12 1 23 1
NPC14774 C21H36O4 (3S,5S)-1-(4-hydroxy-3-methoxyphenyl)tetradecane-3,5-diol 352.2613596 -4.2998 3.33 5.572 2 3 69.92 14 1 25 2
NPC148056 C14H24O2 224.17763 3.5727 2.78 3.754 2 0 26.3 12 0 16 0
NPC148303 C10H16 (1R,3R,6S)-3,7,7-trimethylbicyclo[4.1.0]hept-4-ene 136.1252005 1.4126 2.56 4.619 0 0 0 0 2 10 0
NPC149300 C76H52O46 Tannic Acid 1700.17 -12.6304 4.76 2.662 16 25 777.98 56 11 122 3
NPC1502 C3H6O Propionaldehyde 58.04 -0.1063 1.68 0.587 1 0 17.07 2 0 4 0
NPC150329 C15H24 (1S,4aR,8aR)-7-methyl-4-methylidene-1-propan-2-yl-2,3,4a,5,6,8a-hexahydro-1H-naphthalene 204.1878008 2.2603 3.11 5.942 0 0 0 1 2 15 1
NPC150643 C15H24 4,6-dimethyl-6-(4-methylpent-3-enyl)bicyclo[3.1.1]hept-3-ene 204.1878008 2.7484 3.11 6.104 0 0 0 3 1 15 1
NPC150648 C16H14O4 Pinostrobin 270.09 -0.9456 2.78 3.012 1 1 55.76 4 3 20 0
NPC150713 C10H18O 154.1357652 1.0088 2.45 2.312 1 1 20.23 4 2 11 0
NPC150908 C32H22O10 Isoginkgetin 566.12 -2.952 3.88 3.34 2 4 151.98 11 6 42 0
NPC151759 C7H16O (2R)-heptan-2-ol 116.1201151 -1.5601 2.12 2.449 1 1 20.23 4 0 8 0
NPC152989 C10H18O (1S,3R,4R)-4,7,7-trimethylbicyclo[2.2.1]heptan-3-ol 154.1357652 0.9432 2.45 2.734 1 1 20.23 0 2 11 0
NPC153731 C10H16O 4-prop-1-en-2-ylcyclohexane-1-carbaldehyde 152.1201151 1.5331 2.45 3.016 1 0 17.07 2 1 11 0
NPC154186 C15H30O2 242.2245802 -3.6097 2.89 7.001 2 1 37.3 15 0 17 2
NPC154450 C10H16O2 (2Z)-3,7-dimethylocta-2,6-dienoic acid 168.1150298 2.4419 2.34 2.62 2 1 37.3 4 0 12 0
NPC154858 C15H26 206.2034508 1.3624 3.11 7.563 0 0 0 0 3 15 1
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
NPC15658 C15H14O6 (-)-Catechin 290.08 -2.494 2.45 0.406 1 5 110.38 6 3 21 0
NPC157317 C20H34O (3S,6E,10E)-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-3-ol 290.2609657 4.9336 3.55 6.112 1 1 20.23 10 0 21 1
NPC157781 C15H26O Alpha-Bisabolol 222.2 2.7502 3 4.085 1 1 20.23 9 1 16 0
NPC158063 C15H22O (5Z)-2-methyl-6-(4-methylcyclohex-3-en-1-yl)hepta-2,5-dien-4-one 218.1670653 2.9817 3 3.779 1 0 17.07 3 1 16 0
NPC158949 C17H22O4 6-Dehydrogingerdione 290.15 -1.288 2.89 3.644 2 2 66.76 12 1 21 0
NPC159418 C9H10O4 182.0579088 -0.5009 2.01 0.947 2 1 55.76 6 1 13 0
NPC159754 C15H24 (3E,6E)-12,12,12-trideuterio-3,7-dimethyl-11-(trideuteriomethyl)dodeca-1,3,6,10-tetraene 204.1878008 4.4725 3.11 6.136 0 0 0 6 0 15 1
NPC159825 C10H16O 2-methyl-5-prop-1-en-2-ylcyclopentane-1-carbaldehyde 152.1201151 1.4271 2.45 2.955 1 0 17.07 2 1 11 0
NPC160122 C15H22O 2-methyl-6-(4-methylcyclohexa-1,3-dien-1-yl)hept-2-en-4-one 218.1670653 2.6651 3 3.381 1 0 17.07 4 1 16 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
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
NPC160900 C21H20O6 (1E,6E)-1,7-Bis(4-Hydroxy-3-Methoxyphenyl)Hepta-1,6-Diene-3,5-Dione 368.13 -0.7948 3.11 2.847 2 2 93.06 12 2 27 0
NPC160996 C15H24O (1R,4E,8E,11R)-4,7,7,11-tetramethyl-12-oxabicyclo[9.1.0]dodeca-4,8-diene 220.1827154 2.4043 3 4.314 1 0 12.53 0 2 16 0
NPC161097 C17H34O2 270.2558803 -3.6467 3.11 7.891 2 0 26.3 17 0 19 2
NPC161392 C21H30O4 (E)-1-(4-hydroxy-3-methoxyphenyl)tetradec-1-ene-3,5-dione 346.2144094 -2.5737 3.33 5.775 2 1 63.6 13 1 25 2
NPC16157 C15H24O 220.1827154 1.9144 3 4.607 1 0 12.53 0 3 16 0
NPC161768 C12H14Cl2O3 Butyl 2-(2,4-Dichlorophenoxy)Acetate 276.03 0.5285 2.23 3.597 2 0 35.53 10 1 17 0
NPC162863 C15H24O (1S,4S,5R)-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-en-9-one 220.1827154 1.8198 3 4.992 1 0 17.07 1 2 16 0
NPC163083 C17H24O4 292.1674592 -1.6856 2.89 3.247 2 1 63.6 13 1 21 0
NPC163751 C18H34O (E)-Octadec-9-Enal 266.26 -2.2953 3.33 8.606 1 0 17.07 16 0 19 2
NPC164204 C7H16 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-hexadecadeuterioheptane 100.1252005 -1.3374 2.23 4.323 0 0 0 4 0 7 0
NPC164386 C17H28O3 6-Dihydroparadol 280.2 -2.9251 3 4.748 1 2 49.69 14 1 20 0
NPC164778 C17H24O3 Shogaol 276.17 -0.8747 3 4.225 1 1 46.53 12 1 20 0
NPC165525 C10H18O 2-(4-methylidenecyclohexyl)propan-2-ol 154.1357652 0.9756 2.45 2.414 1 1 20.23 1 1 11 0
NPC165651 C10H20O 156.1514153 1.4641 2.45 3.286 1 1 20.23 9 0 11 0
NPC166362 C10H16 136.1252005 1.3875 2.56 4.024 0 0 0 2 2 10 0
NPC166894 C10H18O 154.1357652 0.9432 2.45 2.734 1 1 20.23 4 2 11 0
NPC167599 C23H26N2O4 394.1892573 -0.6618 3.33 0.142 4 1 62.24 3 6 29 0
NPC168058 C10H18O 3,7-dimethylocta-1,7-dien-3-ol 154.1357652 1.5857 2.45 2.513 1 1 20.23 5 0 11 0
NPC168241 C6H12O2 butan-2-yl acetate 116.0837296 -0.317 1.9 1.482 2 0 26.3 3 0 8 0
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
NPC169237 C15H24O (1S,4S)-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-en-9-one 220.1827154 1.8198 3 4.992 1 0 17.07 1 2 16 0
NPC169600 C21H30O4 (1E,3Z)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)tetradeca-1,3-dien-5-one 346.2144094 -2.44 3.33 5.92 2 2 66.76 12 1 25 2
NPC170167 C14H26O2 226.1932801 1.6314 2.78 4.848 2 0 26.3 13 0 16 0
NPC170780 C10H16O2 168.1150298 0.4229 2.34 1.451 2 0 25.06 3 3 12 0
NPC170799 C10H14O 150.1044651 1.2447 2.45 1.87 1 0 17.07 3 1 11 0
NPC171280 C9H8O2 (Z)-3-phenylprop-2-enoic acid 148.0524295 0.1213 2.23 3.904 2 1 37.3 2 1 11 0
NPC171550 C20H20O6 Cubebin 356.13 -1.0458 3 3.083 2 1 66.38 5 5 26 0
NPC172304 C21H26O10S 1,7-bis(3,4-dihydroxy-5-methoxyphenyl)-5-oxoheptane-3-sulfonic acid 470.124668 -2.8941 2.56 0.349 4 5 179.2 11 2 32 1
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
NPC173160 C8H14N2O4 2-amino-5-[(1-hydroxycyclopropyl)amino]-5-oxopentanoic acid 202.0953569 -2.4979 1.68 -2.988 6 4 116.14 5 1 14 0
NPC173715 C17H26O6S 358.1450096 -2.3365 2.56 2.321 4 2 109.28 11 1 24 1
NPC173996 C10H16O 4,7,7-Trimethylbicyclo[2.2.1]Heptan-3-One 152.12 0.9693 2.45 2.127 1 0 17.07 3 2 11 0
NPC1748 C9H20O 144.1514153 -2.1361 2.34 3.587 1 1 20.23 9 0 10 0
NPC175108 C15H26O 2-(4a,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)propan-2-ol 222.1983655 1.2945 3 4.04 1 1 20.23 1 2 16 0
NPC175640 C19H30O4 2-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dodecan-3-one 322.2144094 -3.2608 3.11 4.713 2 2 66.76 12 1 23 1
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
NPC176740 C27H30O16 Rutin 610.15 -6.139 2.67 -1.188 11 10 265.52 17 5 43 2
NPC177112 C10H18O 154.1357652 1.1223 2.45 1.947 1 1 20.23 5 1 11 0
NPC178223 C10H18O 154.1357652 0.9432 2.45 2.734 1 1 20.23 4 2 11 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
NPC179204 C22H34O6 [3-acetyloxy-1-(3,4-dimethoxyphenyl)decan-5-yl] acetate 394.2355388 -1.9811 3.22 5.295 4 0 71.06 15 1 28 2
NPC179831 C8H16O 128.1201151 -1.5463 2.23 3.432 1 0 17.07 7 0 9 0
NPC180684 C10H18O (1S,3S,4R)-4,7,7-trimethylbicyclo[2.2.1]heptan-3-ol 154.1357652 0.9432 2.45 2.734 1 1 20.23 0 2 11 0
NPC180871 C10H18O Linalool 154.14 2.4692 2.45 2.468 1 1 20.23 8 0 11 0
NPC181969 C10H14O4 (1R,2S)-1-(4-Hydroxy-3-Methoxyphenyl)Propane-1,2-Diol 198.09 -1.4822 2.12 0.157 2 3 69.92 8 1 14 0
NPC18205 C10H16O Citral 152.12 2.4893 2.45 2.701 1 0 17.07 7 0 11 0
NPC182102 C20H40O 296.3079159 1.7816 3.55 8.949 1 1 20.23 19 0 21 2
NPC182158 C15H24 204.1878008 2.4838 3.11 6.597 0 0 0 0 3 15 1
NPC182788 C16H24O4 280.1674592 -1.9673 2.78 2.318 2 2 66.76 9 1 20 0
NPC182840 C10H18O Nerol 154.14 2.3397 2.45 2.524 1 1 20.23 8 0 11 0
NPC18335 C5H5N5 Adenine 135.05 -1.1703 1.46 -0.664 5 2 80.48 1 2 10 0
NPC183670 C15H24 204.1878008 3.3391 3.11 6.354 0 0 0 8 1 15 1
NPC184049 C15H24O 220.1827154 1.7158 3 4.157 1 1 20.23 4 3 16 0
NPC184256 C6H12O2 [(2R)-butan-2-yl] acetate 116.0837296 -0.317 1.9 1.482 2 0 26.3 3 0 8 0
NPC184651 C21H28O6 376.1885886 -2.7848 3.11 2.392 2 4 99.38 16 2 27 0
NPC184831 C15H24 204.1878008 2.0475 3.11 5.743 0 0 0 0 3 15 1
NPC185189 C19H38O2 methyl octadecanoate 298.2871805 -4.2227 3.33 9.029 2 0 26.3 17 0 21 2
NPC186363 C15H20O3 248.1412445 1.1827 2.78 1.34 3 1 46.53 3 3 18 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
NPC189036 C10H18O (1R,3R,4S)-4,7,7-trimethylbicyclo[2.2.1]heptan-3-ol 154.1357652 0.9432 2.45 2.734 1 1 20.23 0 2 11 0
NPC189331 C18H30O (9E,12E,15E)-octadeca-9,12,15-trienal 262.2296656 -0.0505 3.33 7.952 1 0 17.07 13 0 19 2
NPC189515 C18H28O4 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)undecan-3-one 308.1987594 -2.5433 3 3.456 2 2 66.76 11 1 22 1
NPC189853 C15H24 8a-methyl-5-methylidene-3-prop-1-en-2-yl-1,2,3,4,4a,6,7,8-octahydronaphthalene 204.1878008 1.7182 3.11 6.19 0 0 0 1 2 15 1
NPC190461 C21H23NO4 353.16 0.1755 3.22 2.52 1 0 40.16 9 4 26 0
NPC190771 C10H16O (2Z)-3,7-dimethylocta-2,6-dienal 152.1201151 2.4893 2.45 2.701 1 0 17.07 4 0 11 0
NPC190810 C10H16 136.1252005 2.1424 2.56 3.729 0 0 0 3 1 10 0
NPC191184 C10H16 (3Z)-3,7-dimethylocta-1,3,7-triene 136.1252005 3.0936 2.56 4.17 0 0 0 4 0 10 0
NPC191658 C9H20O (2R)-nonan-2-ol 144.1514153 -2.1361 2.34 3.587 1 1 20.23 6 0 10 0
NPC192752 C9H14O (4R)-4-propan-2-ylcyclohex-2-en-1-one 138.1044651 0.6545 2.34 2.387 1 0 17.07 1 1 10 0
NPC192962 C15H26O 222.1983655 1.3215 3 4.027 1 1 20.23 6 2 16 0
NPC193180 C15H24 204.1878008 1.7182 3.11 6.19 0 0 0 3 2 15 1
NPC19319 C10H18O 4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-4-ol 154.1357652 0.5023 2.45 2.756 1 1 20.23 1 2 11 0
NPC194416 C10H12O4 196.0735589 -0.6547 2.12 0.976 2 2 66.76 7 1 14 0
NPC194586 C15H26O Nerolidiol 222.2 3.7014 3 4.29 1 1 20.23 12 0 16 0
NPC194857 C24H34N4O5S 4-Ethyl-3-Methyl-N-[2-[4-[(4-Methylcyclohexyl)Carbamoylsulfamoyl]Phenyl]Ethyl]-5-Oxo-2H-Pyrrole-1-Carboxamide 490.22 0.2885 3 4.487 9 3 140.04 14 3 34 0
NPC195246 C10H18O 154.1357652 2.0432 2.45 3.591 1 0 17.07 8 0 11 0
NPC195717 C15H24 (1S,5S)-4,6-dimethyl-6-(4-methylpent-3-enyl)bicyclo[3.1.1]hept-3-ene 204.1878008 2.7484 3.11 6.104 0 0 0 3 1 15 1
NPC196434 C13H26O 198.1983655 -2.7598 2.78 5.559 1 0 17.07 12 0 14 1
NPC196490 C10H18O (3R)-4,7,7-trimethylbicyclo[2.2.1]heptan-3-ol 154.1357652 0.9432 2.45 2.734 1 1 20.23 0 2 11 0
NPC196711 C15H24O (4Z,8Z)-4,7,7,11-tetramethyl-12-oxabicyclo[9.1.0]dodeca-4,8-diene 220.1827154 2.4043 3 4.314 1 0 12.53 0 2 16 0
NPC196982 C4H10S 90.05032132 1.296 1.79 2.027 0 0 25.3 4 0 5 0
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
NPC197942 C10H16O (2S)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-ol 152.1201151 0.9431 2.45 2.147 1 1 20.23 0 1 11 0
NPC198023 C15H22 202.1721507 2.8428 3.11 7.712 0 0 0 8 1 15 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
NPC198931 C15H26O (1S)-6,6-dimethyl-2,9-dimethylidenecycloundecan-1-ol 222.1983655 1.1633 3 4.525 1 1 20.23 0 1 16 0
NPC199894 C20H32 (3E,6E,10E)-3,7,11,15-tetramethylhexadeca-1,3,6,10,14-pentaene 272.250401 5.7047 3.66 7.958 0 0 0 9 0 20 1
NPC200258 C15H24O 220.1827154 2.4713 3 4.077 1 0 17.07 7 1 16 0
NPC200333 C3H6O Acetone 58.04 -0.244 1.68 0.185 1 0 17.07 2 0 4 0
NPC201529 C14H26O2 [(3R)-3,7-dimethyloct-6-enyl] butanoate 226.1932801 1.6314 2.78 4.848 2 0 26.3 9 0 16 0
NPC201587 C20H24O6 5-[4-Hydroxy-6-(4-Hydroxyphenethyl)Tetrahydro-2H-Pyran-2-Yl]-3-Methoxybenzene-1,2-Diol 360.16 -2.9999 3 2.501 2 4 99.38 10 3 26 0
NPC201777 C17H26O3 278.1881947 -2.0326 3 4.339 1 1 46.53 13 1 20 0
NPC201814 C41H28O27 Geraniin 952.08 -7.4549 3 -2.334 15 14 450.25 17 9 68 2
NPC201844 C12H24O2 Dodecanoate 200.18 -2.7457 2.56 5.294 2 1 37.3 12 0 14 1
NPC202245 C10H22 1-deuteriodecane 142.1721507 -2.2014 2.56 6.03 0 0 0 7 0 10 1
NPC202744 C9H20O (2S)-nonan-2-ol 144.1514153 -2.1361 2.34 3.587 1 1 20.23 6 0 10 0
NPC20287 C17H26O4 Gingerol 294.18 -2.2553 2.89 2.887 2 2 66.76 14 1 21 0
NPC20321 C7H14 hept-1-ene 98.10955045 0.1504 2.23 3.957 0 0 0 4 0 7 0
NPC203719 C8H8O3 Vanillin 152.05 -0.7045 2.01 1.04 1 1 46.53 4 1 11 0
NPC203984 C15H22O (2E,4E,6E)-3,7,11-trimethyldodeca-2,4,6,10-tetraenal 218.1670653 3.8713 3 4.481 1 0 17.07 6 0 16 0
NPC20404 C17H26O4 5-Hydroxy-1-(4-Hydroxy-3-Methoxyphenyl)Decan-3-One 294.18 -2.2553 2.89 2.887 2 2 66.76 14 1 21 0
NPC20410 C15H24 (5R)-2-methyl-5-[(2S)-6-methylhept-5-en-2-yl]cyclohexa-1,3-diene 204.1878008 3.3391 3.11 6.354 0 0 0 4 1 15 1
NPC204120 C12H16O3 208.1099444 0.8733 2.45 2.559 0 0 27.69 8 1 15 0
NPC204527 C19H28O6 [6-acetyloxy-8-(4-hydroxy-3-methoxyphenyl)octan-4-yl] acetate 352.1885886 -1.8136 2.89 3.638 4 1 82.06 12 1 25 1
NPC204592 C17H22O3 274.1568946 -0.6173 3 4.669 0 1 42.6 10 2 20 0
NPC205875 C21H26O8S 1,7-bis(4-hydroxy-3-methoxyphenyl)-5-oxoheptane-3-sulfonic acid 438.1348388 -1.9735 2.78 1.417 4 3 138.74 11 2 30 1
NPC206800 C9H8O2 Cinnamic Acid 148.05 0.1213 2.23 3.904 2 1 37.3 3 1 11 0
NPC207046 C15H26O (4-ethenyl-2,2,4-trimethyl-3-prop-1-en-2-ylcyclohexyl)methanol 222.1983655 2.677 3 4.948 1 1 20.23 3 1 16 0
NPC207086 C11H16O3 4-[(3R)-3-hydroxybutyl]-2-methoxyphenol 196.1099444 -1.1971 2.34 1.545 1 2 49.69 4 1 14 0
NPC207183 C15H22O (5E)-2-methyl-6-(4-methylcyclohex-3-en-1-yl)hepta-2,5-dien-4-one 218.1670653 2.9817 3 3.779 1 0 17.07 3 1 16 0
NPC207324 C17H32O2 methyl (Z)-hexadec-9-enoate 268.2402303 -1.5157 3.11 7.375 2 0 26.3 14 0 19 2
NPC20742 C20H40O 3,7,11,15-tetramethylhexadec-2-en-1-ol 296.3079159 1.7816 3.55 8.949 1 1 20.23 13 0 21 2
NPC207589 C10H16 (5R)-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
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
NPC20870 C19H28O4 1-(4-hydroxy-3-methoxyphenyl)dodecane-3,5-dione 320.1987594 -2.2616 3.11 4.385 2 1 63.6 12 1 23 1
NPC208764 C15H24 4,8a-dimethyl-6-propan-2-yl-2,3,7,8-tetrahydro-1H-naphthalene 204.1878008 1.7975 3.11 5.547 0 0 0 1 2 15 1
NPC208936 C10H16O (2E,4E)-Deca-2,4-Dienal 152.12 0.0794 2.45 3.682 1 0 17.07 7 0 11 0
NPC209205 C16H34O (2R)-hexadecan-2-ol 242.2609657 -4.1521 3.11 7.57 1 1 20.23 13 0 17 2
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
NPC209279 C15H26O 222.1983655 3.7014 3 4.29 1 1 20.23 12 0 16 0
NPC209431 C10H14O 150.1044651 1.308 2.45 2.355 1 0 17.07 3 1 11 0
NPC209970 C18H36O2 Stearic Acid 284.27 -4.4737 3.22 8.708 2 1 37.3 18 0 20 2
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
NPC210560 C10H20O 156.1514153 1.4641 2.45 3.286 1 1 20.23 9 0 11 0
NPC210763 C15H26O (1R,4S)-1-methyl-4-[(2R)-6-methylhept-5-en-2-yl]cyclohex-2-en-1-ol 222.1983655 2.568 3 4.697 1 1 20.23 4 1 16 0
NPC210831 C15H24 204.1878008 1.7635 3.11 6.499 0 0 0 1 1 15 1
NPC211090 C15H24 (1aS,7S,7aS,7bR)-1,1,7,7a-tetramethyl-2,3,5,6,7,7b-hexahydro-1aH-cyclopropa[a]naphthalene 204.1878008 2.3854 3.11 6.298 0 0 0 0 3 15 1
NPC211473 C15H24 204.1878008 2.4838 3.11 6.597 0 0 0 0 3 15 1
NPC211888 C21H28O5 (2R,3aR,5aS,8aS)-5a,8-dihydroxy-3,3-dimethyl-7-(3-methylbutanoyl)-2-prop-1-en-2-yl-1,2,3a,4-tetrahydrocyclopenta[c]pentalene-5,6-dione 360.193674 0.5727 3.22 3.64 5 2 91.67 4 3 26 0
NPC211974 C17H26O6S 1-(4-hydroxy-3-methoxyphenyl)-3-oxodecane-5-sulfonic acid 358.1450096 -2.3365 2.56 2.321 4 2 109.28 11 1 24 1
NPC21266 C10H18O (1S,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-4-ol 154.1357652 0.5023 2.45 2.756 1 1 20.23 1 2 11 0
NPC213749 C10H16 136.1252005 2.4017 2.56 3.852 0 0 0 4 1 10 0
NPC214367 C12H22O2 5,9-dimethyldec-8-enoate 197.1541549 1.2856 2.56 3.834 2 0 40.13 7 0 14 0
NPC214584 C10H18O 154.1357652 1.1223 2.45 2.369 1 1 20.23 5 1 11 0
NPC21470 C43H32O20 868.1486934 -6.1777 3.99 1.428 6 13 351.12 8 8 63 1
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
NPC214957 C21H24O5 (Z)-1,7-bis(4-hydroxy-3-methoxyphenyl)hept-4-en-3-one 356.1623739 -0.5117 3.22 3.321 1 2 75.99 9 2 26 0
NPC215012 C15H24 (1R,5R)-4,6-dimethyl-6-(4-methylpent-3-enyl)bicyclo[3.1.1]hept-3-ene 204.1878008 2.7484 3.11 6.104 0 0 0 3 1 15 1
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
NPC216092 C21H22O4 9-[(2E)-3,7-Dimethylocta-2,6-Dienoxy]Furo[3,2-G]Chromen-7-One 338.15 2.7618 3.33 4.713 1 0 48.67 9 3 25 0
NPC2162 C15H24 204.1878008 0.9578 3.11 7.101 0 0 0 1 2 15 1
NPC216361 C15H10O7 Morin 302.04 -2.8012 2.34 0.952 2 5 127.45 6 3 22 0
NPC216630 C16H32O2 Palmitic Acid 256.24 -3.8977 3 7.57 2 1 37.3 16 0 18 2
NPC216900 C15H24 1,4-dimethyl-7-prop-1-en-2-yl-1,2,3,4,5,6,7,8-octahydroazulene 204.1878008 2.3416 3.11 5.387 0 0 0 1 2 15 1
NPC217229 C6H16O2Si 148.0919563 1.5632 1.79 2.006 2 0 18.46 8 0 9 0
NPC218918 C15H24 204.1878008 2.7967 3.11 6.294 0 0 0 4 1 15 1
NPC219400 C10H18O (3R,4R)-4,7,7-trimethylbicyclo[2.2.1]heptan-3-ol 154.1357652 0.9432 2.45 2.734 1 1 20.23 0 2 11 0
NPC219876 C15H14O6 Cianidanol 290.08 -2.494 2.45 0.406 1 5 110.38 6 3 21 0
NPC219913 C7H6O2 4-Hydroxybenzaldehyde 122.04 -0.6527 2.01 1.484 1 1 37.3 2 1 9 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
NPC22098 C10H18O 154.1357652 2.0432 2.45 3.591 1 0 17.07 8 0 11 0
NPC221192 C8H16O 128.1201151 -1.3198 2.23 2.714 1 0 17.07 7 0 9 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
NPC222955 C10H16O (1S,4R)-4,7,7-trimethylbicyclo[2.2.1]heptan-3-one 152.1201151 0.9693 2.45 2.127 1 0 17.07 0 2 11 0
NPC222997 C9H18O 142.1357652 -1.6078 2.34 3.283 1 0 17.07 8 0 10 0
NPC224777 C10H18O 2,2,3-trimethylbicyclo[2.2.1]heptan-3-ol 154.1357652 0.5699 2.45 2.334 1 1 20.23 0 2 11 0
NPC22484 C15H24 (1R,4aR,8aS)-7-methyl-4-methylidene-1-propan-2-yl-2,3,4a,5,6,8a-hexahydro-1H-naphthalene 204.1878008 2.2603 3.11 5.942 0 0 0 1 2 15 1
NPC225463 C15H24 204.1878008 1.8331 3.11 6.597 0 0 0 0 1 15 1
NPC225710 C7H6O5 Gallic Acid 170.02 -1.6207 1.68 0.002 2 4 97.99 5 1 12 0
NPC225783 C9H20O 144.1514153 -2.4134 2.34 3.696 1 1 20.23 9 0 10 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
NPC227632 C10H16 136.1252005 1.3695 2.56 4.222 0 0 0 2 1 10 0
NPC227670 C10H16 136.1252005 1.3875 2.56 4.024 0 0 0 2 2 10 0
NPC227948 C15H28 1-methyl-4-(6-methylhept-5-en-2-yl)cyclohexane 208.2191009 3.0505 3.11 7.434 0 0 0 4 1 15 1
NPC227986 C9H20 Nonane 128.16 -1.9134 2.45 5.461 0 0 0 8 0 9 1
NPC229262 C15H24 204.1878008 3.3746 3.11 5.551 0 0 0 7 1 15 1
NPC230301 C29H50O Beta-Sitosterol 414.39 1.3 4.54 11.595 1 1 20.23 13 4 30 1
NPC23049 C15H22 1-methyl-4-[(2S)-6-methylhept-5-en-2-yl]benzene 202.1721507 2.8428 3.11 7.712 0 0 0 4 1 15 1
NPC23071 C5H12O 88.088815 -0.552 1.9 1.148 1 1 20.23 5 0 6 0
NPC231331 C15H24 5,8a-dimethyl-3-propan-2-ylidene-1,2,4,4a,7,8-hexahydronaphthalene 204.1878008 3.1801 3.11 5.553 0 0 0 0 2 15 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
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
NPC233209 C10H12 1-methyl-4-prop-1-en-2-ylbenzene 132.0939004 1.7959 2.56 5.339 0 0 0 1 1 10 1
NPC233256 C22H33NO2 Paravallarine 343.25 -0.2365 3.55 4.212 3 1 38.33 4 5 25 0
NPC233731 C10H12O2 Isoeugenol 164.08 0.3952 2.34 2.805 0 1 29.46 5 1 12 0
NPC234150 C33H58O14 [(2S)-2-hydroxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl] (9Z,12Z)-octadeca-9,12-dienoate 678.3826565 -5.2414 3.55 4.16 14 8 225.06 24 2 47 3
NPC234792 C11H16O3 4-[(3S)-3-hydroxybutyl]-2-methoxyphenol 196.1099444 -1.1971 2.34 1.545 1 2 49.69 4 1 14 0
NPC23508 C4H8O2 Ethyl Acetate 88.05 0.2715 1.68 0.664 2 0 26.3 4 0 6 0
NPC235117 C16H14O4 5-hydroxy-7-methoxy-2-phenyl-2,3-dihydrochromen-4-one 270.0892089 -0.9456 2.78 3.012 1 1 55.76 2 3 20 0
NPC235251 C28H58 octacosane 394.4538519 -7.3854 4.54 16.272 0 0 0 25 0 28 2
NPC235901 C10H10O2 5-prop-2-enyl-1,3-benzodioxole 162.0680796 0.726 2.34 2.93 0 0 18.46 2 2 12 0
NPC236579 C18H36O2 284.2715304 -3.3963 3.22 8.314 2 0 26.3 18 0 20 2
NPC238475 C10H14O (1R,5R)-6,6-dimethyl-4-methylidenebicyclo[3.1.1]heptan-3-one 150.1044651 0.8225 2.45 2.249 1 0 17.07 0 1 11 0
NPC238637 C3H6O2 propanoate 73.0289544 -0.8315 1.57 -0.308 2 0 40.13 1 0 5 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
NPC239695 C17H26O3 1-(4-hydroxy-3-methoxyphenyl)decan-5-one 278.1881947 -2.0326 3 4.339 1 1 46.53 10 1 20 0
NPC240009 C15H26O (2Z,7Z)-1,7-dimethyl-4-propan-2-ylcyclodeca-2,7-dien-1-ol 222.1983655 2.1723 3 4.592 1 1 20.23 1 1 16 0
NPC240206 C12H20O2 196.1463299 1.6164 2.56 3.135 2 0 26.3 6 1 14 0
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
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
NPC242314 C15H24 2-methyl-5-(6-methylhept-5-en-2-yl)cyclohexa-1,3-diene 204.1878008 3.3391 3.11 6.354 0 0 0 4 1 15 1
NPC242372 C19H28O3 8-Shogaol 304.2 -1.4507 3.22 5.363 1 1 46.53 14 1 22 2
NPC242580 C29H50O2 Vitamin E 430.38 3.2935 4.43 10.938 0 1 29.46 21 2 31 2
NPC2426 C15H24 204.1878008 0.9578 3.11 7.101 0 0 0 1 2 15 1
NPC242712 C11H10O3 190.0629942 0.1176 2.34 1.703 1 1 46.53 3 2 14 0
NPC24311 C21H32O4 (Z)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)tetradec-3-en-5-one 348.2300595 -2.5898 3.33 5.665 2 2 66.76 13 1 25 2
NPC24474 C17H28O4 296.1987594 -3.1478 2.89 3.296 2 3 69.92 15 1 21 0
NPC244858 C15H24 (1R,4S)-4-methyl-7-methylidene-1-propan-2-yl-2,3,4,4a,5,6-hexahydro-1H-naphthalene 204.1878008 2.251 3.11 6.239 0 0 0 1 2 15 1
NPC244876 C18H28O4 308.1987594 -1.8468 3 3.406 2 1 55.76 15 1 22 1
NPC245777 C18H36O3 2-hydroxyethyl hexadecanoate 300.266445 -4.1861 3.11 7.182 3 1 46.53 17 0 21 2
NPC245858 C15H24 204.1878008 1.6168 3.11 6.544 0 0 0 1 1 15 1
NPC246033 C17H28O2 [(3S,6Z)-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
NPC246165 C10H16 136.1252005 1.0301 2.56 4.222 0 0 0 3 2 10 0
NPC246358 C9H10O2 150.0680796 0.1954 2.23 2.281 0 1 29.46 4 1 11 0
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
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
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
NPC250012 C4H10O2 butane-1,1-diol 90.06807956 -1.3131 1.68 0.316 2 2 40.46 2 0 6 0
NPC250028 C14H28O2 228.2089301 -2.2443 2.78 6.038 2 0 26.3 14 0 16 2
NPC251357 C18H34O octadec-9-enal 266.2609657 -2.2953 3.33 8.606 1 0 17.07 15 0 19 2
NPC252230 C15H24 204.1878008 1.7635 3.11 6.499 0 0 0 1 1 15 1
NPC25230 C7H12O hept-1-en-2-olate 112.088815 -1.1418 2.12 2.591 1 0 23.06 4 0 8 0
NPC25275 C15H24O (1R,4Z,8Z,11R)-4,7,7,11-tetramethyl-12-oxabicyclo[9.1.0]dodeca-4,8-diene 220.1827154 2.4043 3 4.314 1 0 12.53 0 2 16 0
NPC25305 C9H10O5 198.0528234 -0.9612 1.9 -0.016 2 2 75.99 7 1 14 0
NPC253105 C20H24O7 1,5-Epoxy-3-Hydroxy-1-(4,5-Dihydroxy-3-Methoxyphenyl)-7-(3,4-Dihydroxyphenyl)Heptane 376.15 -3.4602 2.89 1.756 2 5 119.61 11 3 27 0
NPC253896 C10H12O3 4-ethenyl-2,6-dimethoxyphenol 180.0786442 0.1436 2.23 1.837 0 1 38.69 3 1 13 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
NPC254761 C22H26O6 (E)-1-(4-hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)hept-4-en-3-one 386.1729386 -0.5635 3.22 2.877 1 2 85.22 10 2 28 0
NPC255041 C17H28O2 [(3S,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
NPC255042 C10H18O Geraniol 154.14 2.3397 2.45 2.524 1 1 20.23 8 0 11 0
NPC256186 C5H12O 88.088815 -0.1638 1.9 1.359 1 1 20.23 5 0 6 0
NPC256848 C10H16 3,7,7-trimethylbicyclo[4.1.0]hept-4-ene 136.1252005 1.4126 2.56 4.619 0 0 0 0 2 10 0
NPC257124 C10H12O2 Eugenol 164.08 0.5166 2.34 2.484 0 1 29.46 5 1 12 0
NPC257976 C18H26O3 (E)-1-(4-Hydroxy-3-Methoxyphenyl)Undec-4-En-3-One 290.19 -1.1627 3.11 4.794 1 1 46.53 13 1 21 0
NPC259127 C22H34O6 394.2355388 -1.9811 3.22 5.295 4 0 71.06 15 1 28 2
NPC259512 C10H14O Thymol 150.1 0.7546 2.45 3.556 0 1 20.23 5 1 11 0
NPC260000 C10H12O2 164.0837296 -0.617 2.34 1.896 1 1 37.3 5 1 12 0
NPC260069 C20H30O3 (3E)-3-[2-[(1R,4aS,8aS)-5,5,8a-trimethylspiro[3,4,4a,6,7,8-hexahydro-1H-naphthalene-2,2'-oxirane]-1-yl]ethylidene]oxolan-2-one 318.2194948 1.4525 3.33 5.307 3 0 38.83 2 4 23 1
NPC260711 C3H4O2 2-oxopropanal 72.02112937 0.1142 1.57 -0.345 2 0 34.14 1 0 5 0
NPC261080 C9H18O2 158.1306798 -1.8817 2.23 3.587 2 1 37.3 9 0 11 0
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
NPC261501 C15H24 204.1878008 1.6446 3.11 6.499 0 0 0 1 3 15 1
NPC261619 C15H14O6 (+)-Epicatechin 290.08 -2.494 2.45 0.406 1 5 110.38 6 3 21 0
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
NPC26329 C4H10O (2S)-butan-2-ol 74.07316494 -0.6961 1.79 0.742 1 1 20.23 1 0 5 0
NPC264143 C20H30O3 (3E)-3-[2-[(1R,2S,4aS,8aS)-5,5,8a-trimethylspiro[3,4,4a,6,7,8-hexahydro-1H-naphthalene-2,2'-oxirane]-1-yl]ethylidene]oxolan-2-one 318.2194948 1.4525 3.33 5.307 3 0 38.83 2 4 23 1
NPC264779 C15H26O Beta-Eudesmol 222.2 0.6981 3 4.83 1 1 20.23 5 2 16 0
NPC265644 C20H34O (3R,6E,10E)-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-3-ol 290.2609657 4.9336 3.55 6.112 1 1 20.23 10 0 21 1
NPC26600 C12H20O2 Neryl Acetate 196.15 2.7188 2.56 3.264 2 0 26.3 10 0 14 0
NPC266093 C16H24O2 methyl 1-methyl-7-prop-1-en-2-yl-1,2,3,5,6,7,8,8a-octahydroazulene-4-carboxylate 248.17763 1.7331 3 4.362 2 0 26.3 3 2 18 0
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
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
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
NPC268999 C17H28O2 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
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
NPC269119 C37H76O heptatriacontan-1-ol 536.5896171 -10.4774 5.42 19.628 1 1 20.23 35 0 38 2
NPC269293 C21H32O6 [3-acetyloxy-1-(4-hydroxy-3-methoxyphenyl)decan-5-yl] acetate 380.2198887 -2.3896 3.11 4.776 4 1 82.06 14 1 27 1
NPC26960 C20H40O Trans-Phytol 296.31 1.7816 3.55 8.949 1 1 20.23 19 0 21 2
NPC26974 C29H60 408.4695019 -7.6734 4.65 16.841 0 0 0 28 0 29 2
NPC270072 C20H20O4 (2,6-dimethoxy-4-prop-2-enylphenyl) (E)-3-phenylprop-2-enoate 324.1361591 1.1951 3.22 6.764 1 0 44.76 8 2 24 1
NPC27067 C17H28O4 (3S,5R)-1-(4-hydroxy-3-methoxyphenyl)decane-3,5-diol 296.1987594 -3.1478 2.89 3.296 2 3 69.92 10 1 21 0
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
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
NPC273607 C10H16O (1S)-4,7,7-trimethylbicyclo[2.2.1]heptan-3-one 152.1201151 0.9693 2.45 2.127 1 0 17.07 0 2 11 0
NPC273686 C23H36O3 (E)-1-(4-Hydroxy-3-Methoxyphenyl)Hexadec-4-En-3-One 360.27 -2.6027 3.66 7.639 1 1 46.53 18 1 26 2
NPC274681 C15H24O (4E,8Z)-4,7,7,11-tetramethyl-12-oxabicyclo[9.1.0]dodeca-4,8-diene 220.1827154 2.4043 3 4.314 1 0 12.53 0 2 16 0
NPC275316 C6H8O2 112.0524295 0.5265 1.9 0.926 2 0 26.3 1 1 8 0
NPC27544 C15H26O (2E,7E)-1,7-dimethyl-4-propan-2-ylcyclodeca-2,7-dien-1-ol 222.1983655 2.1723 3 4.592 1 1 20.23 1 1 16 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
NPC276009 C10H18O 154.1357652 2.0432 2.45 3.591 1 0 17.07 8 0 11 0
NPC276417 C10H18O (1R,5R,6S)-4,7,7-trimethylbicyclo[4.1.0]heptan-5-ol 154.1357652 0.9795 2.45 2.636 1 1 20.23 0 2 11 0
NPC276465 C6H12N2O3 butyl N-carbamoylcarbamate 160.0847922 -0.2533 1.57 1.339 5 3 85.9 5 0 11 0
NPC277 C15H24 5,8a-dimethyl-3-prop-1-en-2-yl-2,3,4,4a,7,8-hexahydro-1H-naphthalene 204.1878008 2.6017 3.11 6.145 0 0 0 1 2 15 1
NPC277736 C15H24 (4aS,7R,7aR)-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
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
NPC277917 C10H18O 154.1357652 0.9432 2.45 2.734 1 1 20.23 4 2 11 0
NPC278308 C21H34O4 10-Gingerol 350.25 -3.4073 3.33 5.163 2 2 66.76 18 1 25 2
NPC278700 C15H24O (1S,4E,8E,11R)-4,7,7,11-tetramethyl-12-oxabicyclo[9.1.0]dodeca-4,8-diene 220.1827154 2.4043 3 4.314 1 0 12.53 0 2 16 0
NPC278711 C8H18 114.1408506 -1.6254 2.34 4.892 0 0 0 7 0 8 0
NPC280965 C15H24 (4aR,8aR)-5,8a-dimethyl-3-propan-2-ylidene-1,2,4,4a,7,8-hexahydronaphthalene 204.1878008 3.1801 3.11 5.553 0 0 0 0 2 15 1
NPC281669 C5H10O2 pentanoate 101.0602545 -1.4075 1.79 0.83 2 0 40.13 3 0 7 0
NPC283143 C33H60O14 [(2R,4R,5S,6R)-3,3,4,5-tetrahydroxy-2-propoxy-6-[[(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl] (Z)-octadec-9-enoate 680.3983066 -6.6927 3.55 6.351 14 8 225.06 24 2 47 4
NPC283655 C10H18O 154.1357652 0.9432 2.45 2.734 1 1 20.23 4 2 11 0
NPC283789 C20H30O3 318.2194948 0.9264 3.33 5.062 3 0 46.67 8 3 23 1
NPC283864 C10H18O [(4R)-4-propan-2-ylcyclohex-2-en-1-yl]methanol 154.1357652 0.491 2.45 3.007 1 1 20.23 2 1 11 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
NPC284467 C15H26O 1-methyl-4-(6-methylhept-5-en-2-yl)cyclohex-2-en-1-ol 222.1983655 2.568 3 4.697 1 1 20.23 4 1 16 0
NPC284731 C10H18O (1R,4R)-4,7,7-trimethylbicyclo[2.2.1]heptan-3-ol 154.1357652 0.9432 2.45 2.734 1 1 20.23 0 2 11 0
NPC285308 C5H11NS2 Nereistoxin 149.03 1.3718 1.68 1.116 1 0 53.84 3 1 8 0
NPC286774 C15H24 204.1878008 1.7635 3.11 6.499 0 0 0 1 1 15 1
NPC286931 C15H24 2-methyl-5-[(2S)-6-methylhept-5-en-2-yl]cyclohexa-1,3-diene 204.1878008 3.3391 3.11 6.354 0 0 0 4 1 15 1
NPC287331 C10H18O Eucalyptol 154.14 1.3109 2.45 2.595 1 0 9.23 3 0 11 0
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
NPC28779 C20H36O2 308.2715304 -0.4471 3.44 8.609 2 0 26.3 18 0 22 2
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
NPC289066 C14H24O2 3,7-dimethylocta-2,6-dienyl 2-methylpropanoate 224.17763 3.4432 2.78 3.81 2 0 26.3 7 0 16 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
NPC289206 C18H32O (9E,12E)-octadeca-9,12-dienal 264.2453156 -0.9011 3.33 8.279 1 0 17.07 14 0 19 2
NPC289388 C12H22O2 Citronellyl Acetate 198.16 1.8432 2.56 4.026 2 0 26.3 11 0 14 0
NPC289508 C22H26O6 (E)-7-(4-hydroxy-3,5-dimethoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)hept-4-en-3-one 386.1729386 -0.5635 3.22 2.877 1 2 85.22 10 2 28 0
NPC289974 C5H10O 86.07316494 0.4153 1.9 1.664 1 0 17.07 4 0 6 0
NPC29 C29H50O (3S)-17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol 414.3861662 1.3 4.54 11.595 1 1 20.23 6 4 30 1
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
NPC290082 C12H18O2 [(1S,5R)-6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl]methyl acetate 194.1306798 0.8046 2.56 3.036 2 0 26.3 3 1 14 0
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
NPC290613 C29H50O 17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol 414.3861662 1.3 4.54 11.595 1 1 20.23 6 4 30 1
NPC29084 C10H12O3 1-(2,4-dihydroxy-3,5-dimethylphenyl)ethanone 180.0786442 0.1095 2.23 1.025 1 2 57.53 1 1 13 0
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
NPC290988 C15H24 (3S,4R)-4-ethenyl-4-methyl-1-propan-2-yl-3-prop-1-en-2-ylcyclohexene 204.1878008 3.102 3.11 5.926 0 0 0 3 1 15 1
NPC291100 C15H24 4-methyl-7-methylidene-1-propan-2-yl-2,3,4,4a,5,6-hexahydro-1H-naphthalene 204.1878008 2.251 3.11 6.239 0 0 0 1 2 15 1
NPC292092 C15H26O (1S,4R,4aS,8aR)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol 222.1983655 1.3641 3 4.476 1 1 20.23 1 2 16 0
NPC292128 C20H32 5-(6-methylhepta-1,5-dien-2-yl)-1-(4-methylpent-3-enyl)cyclohexene 272.250401 5.0588 3.66 7.373 0 0 0 7 1 20 1
NPC292792 C11H14O2 Methyleugenol 178.1 0.9251 2.45 3.003 0 0 18.46 6 1 13 0
NPC293641 C17H26O4 (S)-6-Gingerol 294.18 -2.2553 2.89 2.887 2 2 66.76 14 1 21 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
NPC294271 C14H24O2 [(2E)-3,7-dimethylocta-2,6-dienyl] 2-methylpropanoate 224.17763 3.4432 2.78 3.81 2 0 26.3 7 0 16 0
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
NPC296337 C10H16 136.1252005 2.1434 2.56 4.181 0 0 0 3 2 10 0
NPC296451 C10H16.H2O 3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane;hydrate 136.1252005 1.3875 2.56 4.024 0 0 0 0 2 10 0
NPC29710 C10H18O (1R,4R,5S)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-4-ol 154.1357652 0.5023 2.45 2.756 1 1 20.23 1 2 11 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
NPC297527 C15H24 204.1878008 1.7635 3.11 6.499 0 0 0 1 1 15 1
NPC297528 C15H24 (1R,4aR,8aS)-1,6-dimethyl-4-propan-2-ylidene-2,3,4a,7,8,8a-hexahydro-1H-naphthalene 204.1878008 2.6072 3.11 5.565 0 0 0 0 2 15 1
NPC297643 C15H24 204.1878008 3.3746 3.11 5.551 0 0 0 7 1 15 1
NPC297844 C15H24 204.1878008 1.7635 3.11 6.499 0 0 0 1 1 15 1
NPC298062 C10H18O (1S,3S,4S)-4,7,7-trimethylbicyclo[2.2.1]heptan-3-ol 154.1357652 0.9432 2.45 2.734 1 1 20.23 0 2 11 0
NPC2982 C14H18N2O5 294.1215717 3.9065 2.23 4.091 1 0 103.35 12 1 21 0
NPC298580 C10H18 1-methylidene-4-propan-2-ylcyclohexane 138.1408506 1.4147 2.56 4.59 0 0 0 1 1 10 0
NPC298796 C11H10O4 Citropten 206.06 0.1664 2.23 1.607 1 0 44.76 4 2 15 0
NPC299406 C11H14O3 194.0942943 -0.6688 2.34 1.241 1 1 46.53 7 1 14 0
NPC299484 C4H10O Butanol 74.07 -0.6961 1.79 0.742 1 1 20.23 4 0 5 0
NPC29976 C10H18O 154.1357652 1.0088 2.45 2.312 1 1 20.23 4 2 11 0
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
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
NPC301043 C11H14O2 1,2-dimethoxy-4-[(Z)-prop-1-enyl]benzene 178.0993797 0.8037 2.45 3.324 0 0 18.46 3 1 13 0
NPC301585 C14H28O2 Myristic Acid 228.21 -3.3217 2.78 6.432 2 1 37.3 14 0 16 2
NPC301586 C4H10O4 122.0579088 -1.9188 1.46 -2.552 4 4 80.92 7 0 8 0
NPC302257 C9H14O 4-propan-2-ylcyclohex-2-en-1-one 138.1044651 0.6545 2.34 2.387 1 0 17.07 1 1 10 0
NPC302939 C10H18O 154.14 1.3109 2.45 2.595 1 0 9.23 3 0 11 0
NPC303305 C15H24 1-methyl-4-[(2Z)-6-methylhepta-2,5-dien-2-yl]cyclohexene 204.1878008 3.5213 3.11 5.695 0 0 0 3 1 15 1
NPC303522 C12H14O3 Eugenyl Acetate 206.09 0.8957 2.45 3.224 1 0 35.53 7 1 15 0
NPC304079 C10H16O2 (2E)-3,7-Dimethylocta-2,6-Dienoic Acid 168.12 2.4419 2.34 2.62 2 1 37.3 8 0 12 0
NPC304622 C21H22O6 370.1416384 -1.0587 3.11 2.595 2 2 93.06 13 2 27 0
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
NPC306296 C30H40O2 (2E,4E,6E,8E,10E,12E,14E,16E)-17-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-2,6,11,15-tetramethylheptadeca-2,4,6,8,10,12,14,16-octaenal 432.3028305 6.5825 4.54 7.599 2 1 37.3 9 1 32 1
NPC306990 C20H40O (Z,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-ol 296.3079159 1.7816 3.55 8.949 1 1 20.23 13 0 21 2
NPC307011 C15H24 204.1878008 1.7635 3.11 6.499 0 0 0 1 1 15 1
NPC307425 C11H12O2 176.0837296 0.9475 2.45 3.879 1 0 26.3 5 1 13 0
NPC307594 C6H12O Methyl Isobutyl Ketone 100.09 0.3538 2.01 1.515 1 0 17.07 5 0 7 0
NPC307963 C13H16N2O2 Melatonin 232.12 -0.5009 2.45 1.76 3 2 57.61 7 2 17 0
NPC308108 C10H14O 150.1044651 1.2447 2.45 1.87 1 0 17.07 3 1 11 0
NPC30815 C21H24O5 1,7-bis(4-hydroxy-3-methoxyphenyl)hept-4-en-3-one 356.1623739 -0.5117 3.22 3.321 1 2 75.99 9 2 26 0
NPC308218 C10H18O (3S)-4,7,7-trimethylbicyclo[2.2.1]heptan-3-ol 154.1357652 0.9432 2.45 2.734 1 1 20.23 0 2 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
NPC309182 C15H24 (1S,4E,9R)-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
NPC309208 C18H32O2 [(5E)-10-propyltrideca-5,9-dienyl] acetate 280.2402303 0.5126 3.22 6.775 2 0 26.3 13 0 20 2
NPC309606 C19H36O2 296.2715304 -2.0917 3.33 8.513 2 0 26.3 18 0 21 2
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
NPC311000 C3H8O 60.05751488 -0.6854 1.68 0.282 1 1 20.23 3 0 4 0
NPC311066 C20H30O3 (3Z)-3-[2-[(1R,2S,4aS,8aS)-5,5,8a-trimethylspiro[3,4,4a,6,7,8-hexahydro-1H-naphthalene-2,2'-oxirane]-1-yl]ethylidene]oxolan-2-one 318.2194948 1.4525 3.33 5.307 3 0 38.83 2 4 23 1
NPC31131 C17H16O4 (E)-3-(4-hydroxy-2-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one 284.104859 -0.4666 2.89 3.162 1 1 55.76 5 2 21 0
NPC311419 C20H24O5 344.1623739 -1.8405 3.11 2.638 2 3 86.99 13 2 25 0
NPC311485 C15H12O5 (2R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one 272.0684735 -1.8144 2.56 0.897 1 3 86.99 1 3 20 0
NPC311595 C17H28O4 296.1987594 -3.1478 2.89 3.296 2 3 69.92 15 1 21 0
NPC312404 C21H32O3 10-Shogaol 332.24 -2.0267 3.44 6.501 1 1 46.53 16 1 24 2
NPC312734 C7H16O (2S)-heptan-2-ol 116.1201151 -1.5601 2.12 2.449 1 1 20.23 4 0 8 0
NPC31279 C10H10O2 Safrole 162.07 0.726 2.34 2.93 0 0 18.46 2 2 12 0
NPC31338 C11H12O5 [(4S)-2-oxo-4-[(E)-1-oxobut-2-en-2-yl]-3,4-dihydropyran-5-yl] acetate 224.0684735 -0.1525 2.12 0.474 5 0 69.67 4 1 16 0
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
NPC31557 C16H33NO Palmitamide 255.26 -3.7395 3 7.976 2 2 44.08 16 0 18 2
NPC315707 C17H21NO3 287.15 -0.5627 2.89 1.062 2 1 41.93 4 4 21 0
NPC317305 C16H24O3 5-Hydroxy-1-(4-Hydroxyphenyl)Decan-3-One 264.17 -2.2035 2.89 3.542 2 2 57.53 12 1 19 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
NPC319282 C20H24O6 7-(3,4-Dihydroxyphenyl)-5-Hydroxy-1-(4-Hydroxy-3-Methoxyphenyl)Heptan-3-One 360.16 -2.3008 3 1.893 2 4 107.22 14 2 26 0
NPC32163 C9H10O3 Apocynin 166.06 -0.766 2.12 0.891 1 1 46.53 5 1 12 0
NPC32280 C5H10O2 102.0680796 0.3477 1.79 0.917 2 0 26.3 5 0 7 0
NPC32441 C15H12O5 Naringenin 272.07 -1.8144 2.56 0.897 1 3 86.99 4 3 20 0
NPC32762 C10H18O (1R,3S,4S)-4,7,7-trimethylbicyclo[2.2.1]heptan-3-ol 154.1357652 0.9432 2.45 2.734 1 1 20.23 0 2 11 0
NPC33415 C4H10O4 E968 122.06 -1.9188 1.46 -2.552 4 4 80.92 7 0 8 0
NPC33967 C16H30O2 11-cyclopentylundecanoic acid 254.2245802 -2.6243 3 7.169 2 1 37.3 11 1 18 2
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
NPC35316 C33H56O14 [(2R)-2-hydroxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate 676.3670065 -4.3908 3.55 3.833 14 8 225.06 23 2 47 3
NPC35519 C15H26O 222.1983655 2.7502 3 4.085 1 1 20.23 9 1 16 0
NPC35593 C15H22O4 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)octan-3-one 266.1518092 -1.6793 2.67 1.749 2 2 66.76 8 1 19 0
NPC36061 C16H30O2 Palmitoleic Acid 254.22 -1.7667 3 7.054 2 1 37.3 15 0 18 2
NPC36108 C10H12O2 Isoeugenol 164.08 0.3952 2.34 2.805 0 1 29.46 5 1 12 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
NPC37479 C4H8O Butanal 72.06 -0.3943 1.79 1.156 1 0 17.07 3 0 5 0
NPC37506 C21H34O4 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)tetradecan-3-one 350.2457096 -3.4073 3.33 5.163 2 2 66.76 14 1 25 2
NPC37871 C15H24 (1S,4S,7R)-1,4-dimethyl-7-prop-1-en-2-yl-1,2,3,4,5,6,7,8-octahydroazulene 204.1878008 2.3416 3.11 5.387 0 0 0 1 2 15 1
NPC38135 C15H24O (E)-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
NPC3824 C10H14O 3-(4-methylpent-3-enyl)furan 150.1044651 1.7201 2.45 3.057 0 0 13.14 3 1 11 0
NPC38497 C8H14O 126.1044651 1.5927 2.23 1.796 1 0 17.07 6 0 9 0
NPC38724 C17H24O3 (Z)-1-(4-hydroxy-3-methoxyphenyl)dec-4-en-3-one 276.1725446 -0.8747 3 4.225 1 1 46.53 9 1 20 0
NPC38751 C20H40O (Z)-3,7,11,15-tetramethylhexadec-2-en-1-ol 296.3079159 1.7816 3.55 8.949 1 1 20.23 13 0 21 2
NPC39068 C15H26O 222.1983655 2.2108 3 4.711 1 1 20.23 8 1 16 0
NPC39222 C15H26O (2Z,6E)-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
NPC39633 C19H34O2 294.2558803 -0.6975 3.33 8.186 2 0 26.3 17 0 21 2
NPC40249 C10H16O 152.1201151 0.9693 2.45 2.127 1 0 17.07 3 2 11 0
NPC41180 C10H18O2 170.1306798 0.759 2.34 1.559 2 1 29.46 6 1 12 0
NPC41385 C15H24 (1aS,4aR,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
NPC4181 C16H22O3 (E)-1-(4-Hydroxy-3-Methoxyphenyl)Non-4-En-3-One 262.16 -0.5867 2.89 3.656 1 1 46.53 11 1 19 0
NPC424 C18H34O2 282.2558803 -2.3427 3.22 8.192 2 1 37.3 17 0 20 2
NPC42403 C11H22O 170.1670653 -2.1838 2.56 4.421 1 0 17.07 10 0 12 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
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
NPC4373 C14H21N 15-azabicyclo[9.3.1]pentadeca-1(15),11,13-triene 203.1673997 -1.5048 2.89 5.615 1 0 12.89 0 2 15 1
NPC44363 C18H34O Olealdehyde 266.26 -2.2953 3.33 8.606 1 0 17.07 16 0 19 2
NPC44751 C10H16O (4S)-4,7,7-trimethylbicyclo[2.2.1]heptan-3-one 152.1201151 0.9693 2.45 2.127 1 0 17.07 0 2 11 0
NPC45107 C15H24O 220.1827154 1.2589 3 4.855 1 0 12.53 0 4 16 0
NPC45536 C10H14O2 Perillaketone 166.1 0.4454 2.34 2.419 1 0 30.21 6 1 12 0
NPC45727 C10H16 136.1252005 1.7112 2.56 4.427 0 0 0 4 1 10 0
NPC45954 C19H32O4 1-(4-hydroxy-3-methoxyphenyl)dodecane-3,5-diol 324.2300595 -3.7238 3.11 4.434 2 3 69.92 12 1 23 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
NPC47596 C12H8Cl5N3O2 400.9059149 3.4516 1.68 4.281 5 0 56.49 11 2 22 0
NPC47608 C15H24 204.1878008 2.4838 3.11 6.597 0 0 0 0 3 15 1
NPC47946 C12H20O2 Geranyl Acetate 196.15 2.7188 2.56 3.264 2 0 26.3 10 0 14 0
NPC48162 C16H28O2 252.2089301 2.0055 3 6.477 2 1 37.3 14 0 18 2
NPC48638 C10H16 136.1252005 1.7112 2.56 4.427 0 0 0 4 1 10 0
NPC49026 C15H26O 2-[(1R,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]propan-2-ol 222.1983655 2.2108 3 4.711 1 1 20.23 3 1 16 0
NPC49151 C9H18O 142.1357652 -1.8343 2.34 4.001 1 0 17.07 8 0 10 0
NPC49901 C16H12O7 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-methoxychromen-4-one 316.0583027 -2.3927 2.45 1.471 2 4 116.45 2 3 23 0
NPC5018 C21H24O5 1,7-Bis(4-Hydroxy-3-Methoxyphenyl)Hept-4-En-3-One 356.16 -0.5117 3.22 3.321 1 2 75.99 13 2 26 0
NPC50450 C10H14O 6,6-dimethyl-4-methylidenebicyclo[3.1.1]heptan-3-one 150.1044651 0.8225 2.45 2.249 1 0 17.07 0 1 11 0
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
NPC51443 C15H10O6 Fisetin 286.05 -2.3409 2.45 2.344 2 4 107.22 5 3 21 0
NPC51758 C15H26O Nerolidol 222.2 3.7014 3 4.29 1 1 20.23 12 0 16 0
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
NPC53305 C21H26O5 1,7-Bis(4-Hydroxy-3-Methoxyphenyl)Heptan-3-One 358.18 -1.6696 3.22 3.435 1 2 75.99 14 2 26 0
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
NPC54199 C4H8S 3-methylsulfanylprop-1-ene 88.03467126 1.412 1.79 1.661 0 0 25.3 2 0 5 0
NPC54264 C10H16O (4R)-4,7,7-trimethylbicyclo[2.2.1]heptan-3-one 152.1201151 0.9693 2.45 2.127 1 0 17.07 0 2 11 0
NPC55586 C13H12O2 (2R,3E,11E)-trideca-3,11-dien-5,7,9-triyne-1,2-diol 200.0837296 2.1869 2.67 2.708 2 2 40.46 2 0 15 0
NPC56314 C15H22O6S 8-(4-hydroxy-3-methoxyphenyl)-6-oxooctane-4-sulfonic acid 330.1137094 -1.7605 2.34 1.183 4 2 109.28 9 1 22 0
NPC56346 C17H24O4 (Z)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dec-3-en-5-one 292.1674592 -1.4378 2.89 3.389 2 2 66.76 9 1 21 0
NPC5711 C30H44O5 (4aR,6aR,6aS,6bR,8aR,12aS,13R,14bS)-13-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-3,10-dioxo-1,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydropicene-4a-carboxylic acid 484.3188745 1.7726 4.21 3.723 5 2 91.67 1 5 35 0
NPC57380 C13H12O4 5-Acetonyl-7-Hydroxy-2-Methylchromone 232.07 -0.7435 2.45 0.874 2 1 63.6 5 2 17 0
NPC5751 C21H26O6 (5R)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)heptan-3-one 374.1729386 -1.8923 3.11 1.983 2 3 96.22 10 2 27 0
NPC5805 C10H12INO2 3-(4-iodophenyl)-2-(methylamino)propanoic acid 304.9912766 0.7675 2.12 2.576 3 2 49.33 4 1 14 0
NPC58803 C11H14O3 3-(3,4-dimethoxyphenyl)propanal 194.0942943 -0.1988 2.34 1.909 1 0 35.53 5 1 14 0
NPC5946 C15H24 (4S)-1-methyl-4-[(2Z)-6-methylhepta-2,5-dien-2-yl]cyclohexene 204.1878008 3.5213 3.11 5.695 0 0 0 3 1 15 1
NPC5953 C4H10O (2R)-butan-2-ol 74.07316494 -0.6961 1.79 0.742 1 1 20.23 1 0 5 0
NPC59581 C6H12O 100.088815 -0.9703 2.01 2.294 1 0 17.07 5 0 7 0
NPC60288 C15H24 204.1878008 4.4725 3.11 6.136 0 0 0 10 0 15 1
NPC60556 C15H24 204.1878008 3.2289 3.11 6.044 0 0 0 3 2 15 1
NPC60801 C10H14 1,3,5-trimethylidenecycloheptane 134.1095504 2.5729 2.56 3.134 0 0 0 0 1 10 0
NPC61104 C15H24O4 1-(4-hydroxy-3-methoxyphenyl)octane-3,5-diol 268.1674592 -2.5718 2.67 2.158 2 3 69.92 8 1 19 0
NPC61239 C16H34O (2S)-hexadecan-2-ol 242.2609657 -4.1521 3.11 7.57 1 1 20.23 13 0 17 2
NPC61477 C15H14O6 Catechin 290.08 -2.494 2.45 0.406 1 5 110.38 6 3 21 0
NPC61769 C15H24 204.1878008 1.6446 3.11 6.499 0 0 0 1 3 15 1
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
NPC62595 C10H18O (4S)-4,6,6-trimethylbicyclo[3.1.1]heptan-4-ol 154.1357652 0.8417 2.45 2.756 1 1 20.23 0 1 11 0
NPC63121 C6H12O 100.088815 -0.5056 2.01 1.473 1 1 20.23 5 0 7 0
NPC63697 C10H18O 1-methyl-4-propan-2-ylcyclohex-3-en-1-ol 154.1357652 0.9198 2.45 2.26 1 1 20.23 1 1 11 0
NPC63760 C14H24O2 [(2Z)-3,7-dimethylocta-2,6-dienyl] 2-methylpropanoate 224.17763 3.4432 2.78 3.81 2 0 26.3 7 0 16 0
NPC63782 C19H26O4 (E)-1-(4-hydroxy-3-methoxyphenyl)dodec-1-ene-3,5-dione 318.1831093 -1.9977 3.11 4.637 2 1 63.6 11 1 23 1
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
NPC64784 C16H17NO3 271.1208434 -0.3501 2.78 0.538 2 1 41.93 0 5 20 0
NPC66577 C15H24 204.1878008 4.1708 3.11 5.94 0 0 0 4 1 15 1
NPC66624 C7H14O 114.1044651 -1.0318 2.12 2.145 1 0 17.07 6 0 8 0
NPC66704 C13H16O5 1-(2,4,6-trimethoxyphenyl)butane-1,3-dione 252.0997736 -0.6383 2.34 1.012 2 0 61.83 6 1 18 0
NPC67761 C15H26O 222.1983655 3.7014 3 4.29 1 1 20.23 12 0 16 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
NPC68205 C21H22O4 338.1518092 0.2683 3.33 3.726 0 1 47.92 6 4 25 0
NPC68889 C10H18O Linalool (+) 154.14 2.4692 2.45 2.468 1 1 20.23 8 0 11 0
NPC69413 C18H30O (9Z,12E,15Z)-octadeca-9,12,15-trienal 262.2296656 -0.0505 3.33 7.952 1 0 17.07 13 0 19 2
NPC70410 C15H29NO4 (3R)-3-octanoyloxy-4-(trimethylazaniumyl)butanoate 287.2096584 -3.5036 2.56 2.097 4 0 66.43 12 0 20 1
NPC70737 C10H16 1-methyl-5-prop-1-en-2-ylcyclohexene 136.1252005 2.5944 2.56 3.729 0 0 0 1 1 10 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
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
NPC73161 C15H22O4 (5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)octan-3-one 266.1518092 -1.6793 2.67 1.749 2 2 66.76 8 1 19 0
NPC7491 C15H24O 220.18 1.9144 3 4.607 1 0 12.53 3 3 16 0
NPC75158 C10H18O (1R,3S)-4,7,7-trimethylbicyclo[2.2.1]heptan-3-ol 154.1357652 0.9432 2.45 2.734 1 1 20.23 0 2 11 0
NPC76145 C10H16 Limonene 136.13 2.1424 2.56 3.729 0 0 0 3 1 10 0
NPC7639 C12H18O2 (6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)methyl acetate 194.1306798 0.8046 2.56 3.036 2 0 26.3 3 1 14 0
NPC77249 C30H62 Triacontane 422.49 -7.9614 4.76 17.41 0 0 0 29 0 30 2
NPC78551 C10H16 136.1252005 1.3695 2.56 4.222 0 0 0 2 1 10 0
NPC78918 C10H12O3 (Z)-Coniferyl Alcohol 180.08 -0.493 2.23 1.135 1 2 49.69 6 1 13 0
NPC79241 C15H22O 218.1670653 2.3825 3 5.483 0 1 20.23 9 1 16 1
NPC7934 C15H24 (4E)-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
NPC79482 C5H12O (2S)-2-methylbutan-1-ol 88.088815 -0.552 1.9 1.148 1 1 20.23 2 0 6 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
NPC79943 C15H12O5 5,7-Dihydroxy-2-(4-Hydroxyphenyl)-2,3-Dihydrochromen-4-One 272.07 -1.8144 2.56 0.897 1 3 86.99 4 3 20 0
NPC80027 C8H10O2 4-Ethylresorcinol 138.07 -0.6137 2.12 1.551 0 2 40.46 4 1 10 0
NPC80955 C20H24O8S 1-(3,4-dihydroxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)-5-oxoheptane-3-sulfonic acid 424.1191887 -2.382 2.67 1.327 4 4 149.74 10 2 29 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
NPC83718 C17H22O3 274.1568946 3.0547 3 4.01 2 2 57.53 11 1 20 0
NPC84807 C8H16O octanal 128.1201151 -1.5463 2.23 3.432 1 0 17.07 6 0 9 0
NPC85813 C18H32O2 Linoleic Acid 280.24 -0.9485 3.22 7.865 2 1 37.3 16 0 20 2
NPC85904 C15H24 (1R,8aS)-1,6-dimethyl-4-propan-2-yl-1,2,3,7,8,8a-hexahydronaphthalene 204.1878008 2.2988 3.11 5.643 0 0 0 1 2 15 1
NPC86683 C15H24 204.1878008 2.676 3.11 5.846 0 0 0 4 2 15 1
NPC8706 C15H22O 2-methyl-5-[(2S)-6-methylhept-5-en-2-yl]phenol 218.1670653 2.3825 3 5.483 0 1 20.23 4 1 16 1
NPC87828 C12H20O2 196.1463299 1.3223 2.56 3.474 2 0 26.3 6 2 14 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
NPC89069 C10H18O 154.1357652 0.9432 2.45 2.734 1 1 20.23 4 2 11 0
NPC89674 C17H28O2 [(6Z)-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
NPC90506 C15H24 204.1878008 2.1549 3.11 6.544 0 0 0 3 3 15 1
NPC90803 C15H24 Alloaromadendrene 204.19 2.1549 3.11 6.544 0 0 0 3 3 15 1
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
NPC92214 C16H28 220.2191009 3.6332 3.22 7.493 0 0 0 3 1 16 1
NPC9386 C18H30O4 1-(3,4-dimethoxyphenyl)decane-3,5-diol 310.2144094 -2.7393 3 3.815 2 2 58.92 11 1 22 1
NPC94907 C16H28O 1-(4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl)-2-methylpropan-2-ol 236.2140155 0.7605 3.11 5.61 1 1 20.23 2 2 17 1
NPC95007 C21H30O4 (1Z,3Z)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)tetradeca-1,3-dien-5-one 346.2144094 -2.44 3.33 5.92 2 2 66.76 12 1 25 2
NPC95125 C20H34O (6E,10E)-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-3-ol 290.2609657 4.9336 3.55 6.112 1 1 20.23 10 0 21 1
NPC95407 C11H16O3 4-(3-hydroxybutyl)-2-methoxyphenol 196.1099444 -1.1971 2.34 1.545 1 2 49.69 4 1 14 0
NPC95427 C16H14O4 (2R)-5-hydroxy-7-methoxy-2-phenyl-2,3-dihydrochromen-4-one 270.0892089 -0.9456 2.78 3.012 1 1 55.76 2 3 20 0
NPC95675 C15H24 204.1878008 1.7635 3.11 6.499 0 0 0 1 1 15 1
NPC95969 C15H26O 222.1983655 1.2587 3 5.078 1 1 20.23 5 3 16 1
NPC96630 C10H18O (1S,4R)-4,7,7-trimethylbicyclo[2.2.1]heptan-3-ol 154.1357652 0.9432 2.45 2.734 1 1 20.23 0 2 11 0
NPC97967 C16H34O 242.2609657 -4.1521 3.11 7.57 1 1 20.23 16 0 17 2
NPC98419 C29H45NO8 535.3145174 -3.9065 3.66 1.527 9 5 139.92 2 7 38 0
NPC98434 C15H22 1-methyl-4-[(E)-6-methylhept-4-en-2-yl]benzene 202.1721507 1.8785 3.11 8.049 0 0 0 4 1 15 1
NPC9880 C12H20O2 196.1463299 1.3223 2.56 3.474 2 0 26.3 6 2 14 0
NPC98925 C7H16 100.1252005 -1.3374 2.23 4.323 0 0 0 6 0 7 0
NPC99039 C17H22O4 (1Z,3Z)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)deca-1,3-dien-5-one 290.1518092 -1.288 2.89 3.644 2 2 66.76 8 1 21 0
NPC99480 C15H24O 220.1827154 1.7158 3 4.157 1 1 20.23 4 3 16 0

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