513 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.



97 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
NPC100312 C5H6N2 94.05309819 0.4395 1.79 0.501 2 0 25.78 1 1 7 0
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
NPC100808 C4H6O 2-methylprop-2-enal 70.04186481 0.9615 1.79 0.474 1 0 17.07 1 0 5 0
NPC100809 C10H14O Perillaldehyde 150.1 1.308 2.45 2.355 1 0 17.07 3 1 11 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
NPC101285 C15H24O 220.1827154 1.9144 3 4.607 1 0 12.53 3 3 16 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
NPC103387 C12H16O2 192.1150298 0.9104 2.56 4.475 2 0 26.3 7 1 14 0
NPC104631 C10H14O 3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-one 150.1044651 1.8709 2.45 1.536 1 0 17.07 1 1 11 0
NPC105218 C12H20O2 (6-methyl-3-propan-2-ylcyclohex-2-en-1-yl) acetate 196.1463299 1.1649 2.56 3.146 2 0 26.3 3 1 14 0
NPC105246 C15H24 204.1878008 3.2309 3.11 6.071 0 0 0 6 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
NPC10585 C10H18O (3E)-2,5,5-trimethylhepta-3,6-dien-2-ol 154.1357652 2.2233 2.45 3.478 1 1 20.23 3 0 11 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
NPC108218 C8H10O 122.0731649 -0.1931 2.23 3.189 1 1 20.23 3 1 9 0
NPC108431 C12H20O2 (5-methyl-2-prop-1-en-2-ylhex-4-enyl) acetate 196.1463299 2.3968 2.56 2.938 2 0 26.3 6 0 14 0
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
NPC109854 C20H30O2 (1R,4aR,4bS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,9,10,10a-octahydrophenanthrene-1-carboxylic acid 302.2245802 1.3773 3.44 6.113 2 1 37.3 2 3 22 1
NPC110686 C15H26O2 [(2Z)-3,7-dimethylocta-2,6-dienyl] 3-methylbutanoate 238.1932801 3.3166 2.89 4.594 2 0 26.3 8 0 17 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
NPC115212 C20H22O5 [(3aR,4R,9aS,9bS)-6,9-dimethyl-3-methylidene-2,7-dioxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-4-yl] (E)-2-methylbut-2-enoate 342.1467238 2.4703 3.11 1.445 5 0 69.67 3 3 25 0
NPC115632 C8H14O2 [(E)-hex-3-enyl] acetate 142.0993797 -0.1265 2.12 2.213 2 0 26.3 5 0 10 0
NPC115674 C27H30O15 Lonicerin 594.16 -5.3386 2.78 -0.909 10 9 245.29 16 5 42 1
NPC118426 C20H34O 290.2609657 2.3748 3.55 7.3 1 1 20.23 4 2 21 1
NPC119271 C12H14O4 Diethyl Phthalate 222.09 0.5232 2.34 3.18 4 0 52.6 8 1 16 0
NPC120926 C15H24 Germacrene D 204.19 2.7967 3.11 6.294 0 0 0 4 1 15 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
NPC122318 C30H50O 4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-ol 426.3861662 2.3656 4.65 11.448 1 1 20.23 0 5 31 1
NPC122962 C8H18O 130.1357652 -1.8481 2.23 2.807 1 1 20.23 8 0 9 0
NPC123290 C15H14O2 3-methoxy-5-(2-phenylethenyl)phenol 226.0993797 -0.0443 2.89 5.973 0 1 29.46 3 2 17 1
NPC123357 C9H16O2 156.1150298 -0.0503 2.23 2.466 2 0 26.3 8 0 11 0
NPC123526 C20H20O6 Piperitol 356.13 -1.8128 3 2.13 2 1 66.38 5 5 26 0
NPC124876 C15H24 204.1878008 1.0459 3.11 6.544 0 0 0 1 3 15 1
NPC125144 C7H7NO 121.0527638 -0.1505 2.01 3.323 0 1 32.59 2 1 9 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
NPC127696 C8H16O2 144.1150298 1.2277 2.12 1.865 2 0 26.3 8 0 10 0
NPC128061 C20H38O2 310.2871805 -1.8413 3.44 8.936 2 0 26.3 19 0 22 2
NPC128248 C20H28O2 Dehydroabietic Acid 300.21 0.9014 3.44 7.946 2 1 37.3 7 3 22 1
NPC128553 C15H10O8 2-(3,4-dihydroxyphenyl)-5,6,7,8-tetrahydroxychromen-4-one 318.0375673 -3.2654 2.23 0.394 1 6 147.68 1 3 23 1
NPC128825 C8H8O3 Methyl Salicylate 152.05 -0.4491 2.01 2.585 2 1 46.53 4 1 11 0
NPC130209 C10H16O [(4R)-4-Prop-1-En-2-Ylcyclohexen-1-Yl]Methanol 152.12 1.0517 2.45 1.848 1 1 20.23 4 1 11 0
NPC130306 C10H16O 3,3,6-trimethylhepta-1,5-dien-4-one 152.1201151 2.8074 2.45 2.629 1 0 17.07 3 0 11 0
NPC131431 C10H18O (1R,4S)-1-methyl-4-propan-2-ylcyclohex-2-en-1-ol 154.1357652 0.9401 2.45 2.77 1 1 20.23 1 1 11 0
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
NPC131981 C10H16O Camphor 152.12 0.9693 2.45 2.127 1 0 17.07 3 2 11 0
NPC133253 C20H30O3 3-Oxoanticopalic Acid 318.22 2.4736 3.33 4.282 3 1 54.37 9 2 23 0
NPC133819 C4H8O Isobutyraldehyde 72.06 0.5419 1.79 0.88 1 0 17.07 3 0 5 0
NPC133973 C21H30O3S (2E,6E)-9-(benzenesulfonyl)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol 362.1915658 2.8407 3.33 4.681 3 1 62.75 9 1 25 0
NPC134616 C6H12O6 (2R,3S,5R,6R)-cyclohexane-1,2,3,4,5,6-hexol 180.0633881 -3.0642 1.46 -1.458 6 6 121.38 0 1 12 1
NPC135077 C10H18O 154.1357652 0.8438 2.45 2.798 1 0 17.07 4 1 11 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
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
NPC136317 C17H22O7 338.136553 -1.1799 2.56 0.165 7 1 97.89 2 5 24 0
NPC13789 C15H24O (-)-Caryophyllene Oxide 220.18 1.9144 3 4.607 1 0 12.53 3 3 16 0
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
NPC138837 C13H22O2 [(1S,3R,4S)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] propanoate 210.1619799 1.3985 2.67 3.727 2 0 26.3 3 2 15 0
NPC138925 C20H40O (Z,7R,11R)-3,7,11,15-tetra(methyl)hexadec-2-en-1-ol 296.3079159 1.7816 3.55 8.949 1 1 20.23 13 0 21 2
NPC139364 C16H12O5 3'-Methoxydaidzein 284.07 -1.6391 2.67 2.031 1 2 75.99 5 3 21 0
NPC139387 C17H24O3 276.1725446 1.0958 3 2.734 3 0 43.37 2 1 20 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
NPC139717 C15H24 204.1878008 3.3746 3.11 5.551 0 0 0 7 1 15 1
NPC13991 C10H16 Alpha-Pinene 136.13 1.5162 2.56 4.177 0 0 0 3 1 10 0
NPC140389 C4H10O2 90.06807956 -0.9188 1.68 -0.288 2 2 40.46 5 0 6 0
NPC140703 C30H50O (3R,3aR,5aR,5bR,7aR,9S,11aS,13aS,13bR)-3a,5a,8,8,11a,13a-hexamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,7,7a,9,10,11,13,13b-tetradecahydrocyclopenta[a]chrysen-9-ol 426.3861662 3.1532 4.65 11.448 1 1 20.23 1 5 31 1
NPC14166 C10H18 (1R,4S)-2,2,4-trimethylbicyclo[2.2.1]heptane 138.1408506 1.9757 2.56 5.241 0 0 0 0 2 10 1
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
NPC143211 C6H12O2 116.0837296 0.0597 1.9 1.486 2 0 26.3 6 0 8 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
NPC144403 C10H18O2 5-ethenyl-5-methyl-2-propan-2-yloxolan-2-ol 170.1306798 0.8082 2.34 1.891 2 1 29.46 2 1 12 0
NPC144682 C15H24O Butylated Hydroxytoluene 220.18 3.2941 3 5.957 0 1 20.23 10 1 16 1
NPC144719 C10H18O (4S)-3,3,6-trimethylhepta-1,5-dien-4-ol 154.1357652 2.6672 2.45 2.283 1 1 20.23 3 0 11 0
NPC14576 C15H24 204.1878008 1.0459 3.11 6.544 0 0 0 1 3 15 1
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
NPC147062 C8H10 M-Xylene 106.08 1.284 2.34 4.708 0 0 0 2 1 8 0
NPC147343 C10H20O 156.1514153 0.6563 2.45 3.211 1 1 20.23 5 1 11 0
NPC148163 C10H16O 152.1201151 1.0517 2.45 1.848 1 1 20.23 4 1 11 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
NPC148478 C10H18O (1S,2S,5S)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol 154.1357652 1.2373 2.45 2.395 1 1 20.23 1 1 11 0
NPC149960 C19H34 262.2660511 1.4125 3.55 9.741 0 0 0 1 3 19 1
NPC150196 C9H12 120.0939004 0.9489 2.45 5.277 0 0 0 3 1 9 1
NPC150424 C21H32O4 348.2300595 1.4769 3.33 5.554 4 1 63.6 7 2 25 1
NPC150486 C12H20O2 (4-methyl-1-propan-2-yl-3-bicyclo[3.1.0]hexanyl) acetate 196.1463299 0.5542 2.56 3.587 2 0 26.3 3 2 14 0
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
NPC152451 C5H11NO2S 149.0510496 -0.7303 1.57 -1.853 3 2 88.62 7 0 9 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
NPC15336 C25H24O12 (3S,5S)-3,5-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,4-dihydroxycyclohexane-1-carboxylic acid 516.1267762 -2.3865 2.89 1.085 8 7 211.28 9 3 37 1
NPC153958 C27H56 heptacosane 380.4382018 -7.0974 4.43 15.703 0 0 0 24 0 27 2
NPC15441 C14H14 1-methyl-3-(3-methylphenyl)benzene 182.1095504 1.284 3 7.938 0 0 0 1 2 14 1
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
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
NPC157555 C12H22O2 6-heptyloxan-2-one 198.1619799 -2.3594 2.56 4.24 2 0 26.3 6 1 14 0
NPC157781 C15H26O Alpha-Bisabolol 222.2 2.7502 3 4.085 1 1 20.23 9 1 16 0
NPC15912 C12H20O2 196.1463299 2.8483 2.56 3.208 2 0 26.3 10 0 14 0
NPC159362 C29H50O (3S,8R,9R,10R,13R,14R,17R)-17-[(2R,5R)-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
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
NPC160842 C38H40N2O6 620.288637 0.1833 4.76 5.577 2 0 61.86 3 7 46 1
NPC161405 C10H18O (1S,6R)-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
NPC161555 C8H16O (3S)-oct-1-en-3-ol 128.1201151 -0.9039 2.23 2.707 1 1 20.23 5 0 9 0
NPC16157 C15H24O 220.1827154 1.9144 3 4.607 1 0 12.53 0 3 16 0
NPC16182 C15H22O (1R,3Z,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-3-en-5-one 218.1670653 2.4887 3 4.071 1 0 17.07 0 2 16 0
NPC161923 C20H30O2 Sandaracopimaric Acid 302.22 1.7675 3.44 6.935 2 1 37.3 6 3 22 1
NPC162547 C4H8OS 3-Methylsulfanylpropanal 104.03 0.5469 1.68 1.2 1 0 42.37 4 0 6 0
NPC163984 C10H14O (S)(+)Carvone 150.1 1.5954 2.45 1.756 1 0 17.07 3 1 11 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
NPC166692 C15H24 (3Z,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraene 204.1878008 4.4725 3.11 6.136 0 0 0 6 0 15 1
NPC166894 C10H18O 154.1357652 0.9432 2.45 2.734 1 1 20.23 4 2 11 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
NPC168855 C10H14O 150.1044651 0.7758 2.45 3.609 1 1 20.23 5 1 11 0
NPC170303 C22H34O4 3Beta-Acetoxycopalic Acid 362.25 2.283 3.44 5.629 4 1 63.6 12 2 26 1
NPC170484 C10H12O2 164.0837296 0.186 2.34 3.929 2 0 26.3 5 1 12 0
NPC170799 C10H14O 150.1044651 1.2447 2.45 1.87 1 0 17.07 3 1 11 0
NPC171188 C4H6O2 Butanedione 86.04 -0.5078 1.68 -0.164 2 0 34.14 3 0 6 0
NPC172963 C20H32O 288.2453156 2.5244 3.55 7.477 1 0 17.07 4 2 21 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
NPC174665 C10H16O (1S,4S,5S)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one 152.1201151 0.5558 2.45 2.434 1 0 17.07 1 2 11 0
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
NPC176270 C11H20O2 [(Z)-hex-3-enyl] 2-methylbutanoate 184.1463299 -0.0783 2.45 3.328 2 0 26.3 7 0 13 0
NPC176309 C10H20O Levomenthol 156.15 0.6563 2.45 3.211 1 1 20.23 5 1 11 0
NPC176500 C7H12O2 128.0837296 -0.9194 2.01 1.606 2 0 26.3 3 1 9 0
NPC176819 C10H14O 150.1044651 1.5954 2.45 1.756 1 0 17.07 3 1 11 0
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
NPC179303 C10H14 1-ethyl-2,4-dimethylbenzene 134.1095504 1.5909 2.56 5.6 0 0 0 1 1 10 1
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
NPC179950 C21H20O12 Isoquercetin 464.1 -4.8921 2.45 -0.354 7 8 206.6 12 4 33 1
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
NPC181516 C16H34O Cetyl Alcohol 242.26 -4.4294 3.11 7.679 1 1 20.23 16 0 17 2
NPC18205 C10H16O Citral 152.12 2.4893 2.45 2.701 1 0 17.07 7 0 11 0
NPC182840 C10H18O Nerol 154.14 2.3397 2.45 2.524 1 1 20.23 8 0 11 0
NPC183574 C13H18O2 2-phenylethyl 3-methylbutanoate 206.1306798 0.7838 2.67 5.259 2 0 26.3 6 1 15 1
NPC183670 C15H24 204.1878008 3.3391 3.11 6.354 0 0 0 8 1 15 1
NPC184230 C17H28O2 264.2089301 1.7364 3.11 5.916 2 0 26.3 2 3 19 1
NPC185878 C10H18O2 oct-1-en-3-yl acetate 170.1306798 -0.5248 2.34 3.447 2 0 26.3 7 0 12 0
NPC187061 C13H24O2 [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] propanoate 212.17763 1.1116 2.67 4.204 2 0 26.3 4 1 15 0
NPC187796 C10H16O (1S,4R,5S)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one 152.1201151 0.5558 2.45 2.434 1 0 17.07 1 2 11 0
NPC18816 C10H18 (1R,4R,6R)-4,7,7-trimethylbicyclo[4.1.0]heptane 138.1408506 1.5526 2.56 5.143 0 0 0 0 2 10 1
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
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
NPC190810 C10H16 136.1252005 2.1424 2.56 3.729 0 0 0 3 1 10 0
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
NPC19436 C5H10O (3R)-pent-1-en-3-ol 86.07316494 -0.0399 1.9 1 1 1 20.23 2 0 6 0
NPC194586 C15H26O Nerolidiol 222.2 3.7014 3 4.29 1 1 20.23 12 0 16 0
NPC195569 C15H24 204.1878008 1.5375 3.11 6.499 0 0 0 1 3 15 1
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
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
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
NPC197356 C6H12O 100.088815 -0.5056 2.01 1.473 1 1 20.23 5 0 7 0
NPC197977 C8H18O (3S)-octan-3-ol 130.1357652 -1.8481 2.23 2.807 1 1 20.23 5 0 9 0
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
NPC200210 C10H18O 2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol 154.1357652 1.2373 2.45 2.395 1 1 20.23 1 1 11 0
NPC200333 C3H6O Acetone 58.04 -0.244 1.68 0.185 1 0 17.07 2 0 4 0
NPC202189 C15H24 204.1878008 2.2115 3.11 5.46 0 0 0 5 2 15 1
NPC202691 C15H26O (1R,4S,4aR,8aS)-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
NPC203901 C10H18O (1R,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol 154.1357652 1.2373 2.45 2.395 1 1 20.23 1 1 11 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
NPC204504 C13H22O2 [(2Z)-3,7-dimethylocta-2,6-dienyl] propanoate 210.1619799 2.795 2.67 3.517 2 0 26.3 7 0 15 0
NPC204838 C15H22 2,4a,8,8-tetramethyl-1,1a,4,5-tetrahydrocyclopropa[j]naphthalene 202.1721507 3.0313 3.11 5.981 0 0 0 0 3 15 1
NPC205866 C15H26O 222.1983655 1.9282 3 5.176 1 1 20.23 0 3 16 1
NPC206095 C25H24O12 4,5-Dicaffeoylquinic Acid 516.13 -2.3865 2.89 1.085 8 7 211.28 16 3 37 1
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
NPC207656 C7H14O6 6-Methoxycyclohexane-1,2,3,4,5-Pentol 194.08 -2.6557 1.57 -1.797 6 5 110.38 7 1 13 0
NPC20790 C15H10O7 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-olate 301.0348276 -3.135 2.34 1.381 2 4 130.28 1 3 22 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
NPC208151 C10H16O 4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one 152.1201151 0.5558 2.45 2.434 1 0 17.07 1 2 11 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
NPC209279 C15H26O 222.1983655 3.7014 3 4.29 1 1 20.23 12 0 16 0
NPC210040 C25H24O12 (3R,5R)-3,5-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,4-dihydroxycyclohexane-1-carboxylic acid 516.1267762 -2.3865 2.89 1.085 8 7 211.28 9 3 37 1
NPC21038 C10H20O2 2-methylbutyl 2-methylbutanoate 172.1463299 -0.1247 2.34 3.003 2 0 26.3 6 0 12 0
NPC210560 C10H20O 156.1514153 1.4641 2.45 3.286 1 1 20.23 9 0 11 0
NPC211473 C15H24 204.1878008 2.4838 3.11 6.597 0 0 0 0 3 15 1
NPC211631 C12H20O2 [(4S)-3,3,6-trimethylhepta-1,5-dien-4-yl] acetate 196.1463299 3.0463 2.56 3.023 2 0 26.3 5 0 14 0
NPC21211 C9H10 118.0782503 -0.1632 2.45 4.937 0 0 0 0 2 9 0
NPC212911 C11H8O2 methyl (E)-dec-2-en-4,6,8-triynoate 172.0524295 2.7855 2.45 2.707 2 0 26.3 2 0 13 0
NPC213500 C11H20O2 [(E)-hex-3-enyl] 2-methylbutanoate 184.1463299 -0.0783 2.45 3.328 2 0 26.3 7 0 13 0
NPC213749 C10H16 136.1252005 2.4017 2.56 3.852 0 0 0 4 1 10 0
NPC21405 C15H26O 222.1983655 1.0341 3 4.943 1 1 20.23 0 3 16 0
NPC214584 C10H18O 154.1357652 1.1223 2.45 2.369 1 1 20.23 5 1 11 0
NPC214609 C10H14O 4,6,6-trimethylbicyclo[3.1.1]hept-3-en-7-one 150.1044651 1.3376 2.45 1.578 1 0 17.07 0 1 11 0
NPC214691 C15H24 (1S,5S,6S)-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
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
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
NPC216127 C26H54 hexacosane 366.4225517 -6.8094 4.32 15.134 0 0 0 23 0 26 2
NPC216394 C20H38O2 ethyl (E)-octadec-9-enoate 310.2871805 -1.8413 3.44 8.936 2 0 26.3 17 0 22 2
NPC216533 C10H18O [(1R,4S,5R)-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
NPC216610 C15H24 204.1878008 3.5213 3.11 5.695 0 0 0 3 1 15 1
NPC217242 C13H18O2 (2S)-3,3,3-trideuterio-2-[4-(2-methylpropyl)phenyl]propanoic acid 206.1306798 0.9491 2.67 5.342 2 1 37.3 4 1 15 1
NPC218918 C15H24 204.1878008 2.7967 3.11 6.294 0 0 0 4 1 15 1
NPC219017 C15H26O2 [(2E)-3,7-dimethylocta-2,6-dienyl] 3-methylbutanoate 238.1932801 3.3166 2.89 4.594 2 0 26.3 8 0 17 0
NPC219436 C20H30O 286.2296656 2.1416 3.55 7.55 0 0 13.14 2 3 21 1
NPC220260 C15H22N2O 246.1732133 -1.3735 2.78 0.647 3 0 23.55 0 4 18 0
NPC220540 C9H10O3 Methyl 4-Methoxybenzoate 166.06 -0.0406 2.12 1.91 2 0 35.53 5 1 12 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
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
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
NPC223468 C10H20O Menthol 156.15 0.6563 2.45 3.211 1 1 20.23 5 1 11 0
NPC223549 C25H24O12 (1R,3S,4S,5S)-1,3-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-4,5-dihydroxycyclohexane-1-carboxylic acid 516.1267762 -2.3865 2.89 1.514 8 7 211.28 9 3 37 1
NPC223695 C18H32O2 (9E,12E)-octadeca-9,12-dienoate 279.2324052 -1.6263 3.22 7.384 2 0 40.13 14 0 20 2
NPC224389 C25H24O12 3,4-Dicaffeoylquinic Acid 516.13 -2.3865 2.89 1.085 8 7 211.28 16 3 37 1
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
NPC225284 C20H32O [(1R,4aR,4bS,7R,10aR)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthren-1-yl]methanol 288.2453156 1.5586 3.55 7.242 1 1 20.23 2 3 21 1
NPC226259 C9H12 1,2,3-trimethylbenzene 120.0939004 1.926 2.45 5.031 0 0 0 0 1 9 1
NPC226511 C8H14O2 142.0993797 -0.1265 2.12 2.213 2 0 26.3 7 0 10 0
NPC227037 C6H12O2 [(2R)-oxan-2-yl]methanol 116.0837296 -1.5056 1.9 0.212 2 1 29.46 1 1 8 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
NPC22760 C14H16 Chamazulene 184.13 1.5909 3 7.476 0 0 0 4 2 14 1
NPC227670 C10H16 136.1252005 1.3875 2.56 4.024 0 0 0 2 2 10 0
NPC229782 C10H14O (6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-one 150.1044651 1.8709 2.45 1.536 1 0 17.07 1 1 11 0
NPC23071 C5H12O 88.088815 -0.552 1.9 1.148 1 1 20.23 5 0 6 0
NPC23145 C15H24 204.1878008 2.1549 3.11 6.544 0 0 0 3 3 15 1
NPC231559 C10H14 4-ethyl-1,2-dimethylbenzene 134.1095504 1.5909 2.56 5.6 0 0 0 1 1 10 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
NPC233533 C18H36O 6,10,14-trimethylpentadecan-2-one 268.2766158 1.0346 3.33 8.221 1 0 17.07 12 0 19 2
NPC23615 C10H18O 3,3,6-trimethylhepta-1,5-dien-4-ol 154.1357652 2.6672 2.45 2.283 1 1 20.23 3 0 11 0
NPC236579 C18H36O2 284.2715304 -3.3963 3.22 8.314 2 0 26.3 18 0 20 2
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
NPC236797 C12H26O 186.1983655 -3.2774 2.67 5.403 1 1 20.23 12 0 13 1
NPC238023 C8H10 O-Xylene 106.08 1.284 2.34 4.708 0 0 0 2 1 8 0
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
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
NPC239931 C9H10O 134.0731649 0.0191 2.34 3.808 1 1 20.23 3 1 10 0
NPC240722 C11H10O4 Scoparone 206.06 0.1664 2.23 1.607 1 0 44.76 4 2 15 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
NPC241457 C9H10 1-ethenyl-2-methylbenzene 118.0782503 1.3495 2.45 5.277 0 0 0 1 1 9 1
NPC24146 C25H24O12 3,5-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,4-dihydroxycyclohexane-1-carboxylic acid 516.1267762 -2.3865 2.89 1.085 8 7 211.28 9 3 37 1
NPC241498 C16H12O6 Hispidulin 300.06 -1.9363 2.56 1.123 1 3 96.22 6 3 22 0
NPC241784 C10H16 136.1252005 1.5162 2.56 4.177 0 0 0 3 1 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
NPC243083 C15H12O4 Pinocembrin 256.07 -1.3541 2.67 2.493 1 2 66.76 3 3 19 0
NPC243295 C10H18O [(1R,4R,5R)-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
NPC243898 C10H20O2 3-methylbutyl 2-methylbutanoate 172.1463299 0.2635 2.34 3.214 2 0 26.3 6 0 12 0
NPC244523 C6H12O 4-methylpentanal 100.088815 0.6709 2.01 2.233 1 0 17.07 3 0 7 0
NPC246165 C10H16 136.1252005 1.0301 2.56 4.222 0 0 0 3 2 10 0
NPC246581 C12H20 164.1565006 2.5897 2.78 5.138 0 0 0 0 2 12 1
NPC247553 C9H6O3 Umbelliferone 162.03 -0.1903 2.12 1.532 1 1 46.53 1 2 12 0
NPC24824 C10H20O Citronellol 156.15 1.4641 2.45 3.286 1 1 20.23 9 0 11 0
NPC248310 C17H14O7 5,6-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxychromen-4-one 330.0739528 -1.9881 2.56 1.108 1 3 105.45 3 3 24 0
NPC24833 C5H6O 82.04186481 0.3877 1.9 0.237 1 0 17.07 0 1 6 0
NPC248685 C10H20O (1S,2S,5S)-2-methyl-5-propan-2-ylcyclohexan-1-ol 156.1514153 0.6563 2.45 3.211 1 1 20.23 1 1 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
NPC249234 C10H18O (1S,4S)-1-methyl-4-propan-2-ylcyclohex-2-en-1-ol 154.1357652 0.9401 2.45 2.77 1 1 20.23 1 1 11 0
NPC249347 C10H20O2 pentyl 2-methylbutanoate 172.1463299 -0.8341 2.34 3.275 2 0 26.3 7 0 12 0
NPC249801 C8H16O 128.1201151 -0.9039 2.23 2.707 1 1 20.23 7 0 9 0
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
NPC251666 C10H16O 152.1201151 1.5693 2.45 1.699 1 1 20.23 4 1 11 0
NPC252067 C10H12O Cuminaldehyde 148.09 0.3805 2.45 4.48 1 0 17.07 4 1 11 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
NPC255042 C10H18O Geraniol 154.14 2.3397 2.45 2.524 1 1 20.23 8 0 11 0
NPC255350 C18H16O7 Eupatilin 344.09 -1.5796 2.67 1.198 1 2 94.45 9 3 25 0
NPC255577 C10H18O (1R,4R)-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
NPC256989 C20H36O2 ethyl octadeca-9,12-dienoate 308.2715304 -0.4471 3.44 8.609 2 0 26.3 16 0 22 2
NPC257124 C10H12O2 Eugenol 164.08 0.5166 2.34 2.484 0 1 29.46 5 1 12 0
NPC2605 C10H18O 4-methylidene-1-propan-2-ylcyclohexan-1-ol 154.1357652 0.9756 2.45 1.992 1 1 20.23 1 1 11 0
NPC260976 C10H14O (1R,5S)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-7-one 150.1044651 1.3376 2.45 1.578 1 0 17.07 0 1 11 0
NPC262170 C5H10O (E)-2-methylbut-2-en-1-ol 86.07316494 0.905 1.9 0.491 1 1 20.23 1 0 6 0
NPC26600 C12H20O2 Neryl Acetate 196.15 2.7188 2.56 3.264 2 0 26.3 10 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
NPC266859 C17H18 (7Z,9E)-heptadeca-1,7,9-trien-11,13,15-triyne 222.1408506 3.9915 3.33 7.028 0 0 0 6 0 17 1
NPC267020 C10H18O [(1S,4S,5S)-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
NPC267210 C20H38O2 ethyl octadec-9-enoate 310.2871805 -1.8413 3.44 8.936 2 0 26.3 17 0 22 2
NPC268564 C10H16O 152.1201151 1.2899 2.45 2.238 1 0 17.07 4 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
NPC268906 C15H16O3 (8aS)-5,8a-dimethyl-3-methylidene-3a,4,9,9a-tetrahydrobenzo[f][1]benzofuran-2,6-dione 244.1099444 1.536 2.78 1.386 3 0 43.37 0 3 18 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
NPC270507 C13H18O2 206.1306798 0.2342 2.67 5.044 2 0 26.3 8 1 15 1
NPC271027 C16H22O4 dibutyl benzene-1,2-dicarboxylate 278.1518092 -1.2084 2.78 5.034 4 0 52.6 10 1 20 1
NPC271087 C15H26O 6-methyl-2-(4-methylcyclohex-3-en-1-yl)hept-5-en-2-ol 222.1983655 2.7502 3 4.085 1 1 20.23 4 1 16 0
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
NPC2724 C2H6O Alcohol 46.04 -0.1076 1.57 -0.076 1 1 20.23 2 0 3 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
NPC273619 C15H25NO5 [(7S,8R)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S)-2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoate 299.1732729 -1.2517 2.45 -0.832 6 3 90.23 6 2 21 0
NPC273832 C15H24 (1Z,4E)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene 204.1878008 4.1708 3.11 5.94 0 0 0 0 1 15 1
NPC274455 C13H18O2 Ibuprofen 206.13 0.9491 2.67 5.342 2 1 37.3 8 1 15 1
NPC274584 C15H24 1,4-dimethyl-7-propan-2-ylidene-2,3,4,5,6,8-hexahydro-1H-azulene 204.1878008 2.7962 3.11 4.984 0 0 0 0 2 15 0
NPC275370 C8H16O (E)-oct-2-en-1-ol 128.1201151 -0.538 2.23 2.811 1 1 20.23 5 0 9 0
NPC275462 C6H14O 1-Hexanol 102.1 -1.5494 2.01 1.989 1 1 20.23 6 0 7 0
NPC275954 C25H24O12 (3R,5S)-3,5-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,4-dihydroxycyclohexane-1-carboxylic acid 516.1267762 -2.3865 2.89 1.085 8 7 211.28 9 3 37 1
NPC277604 C6H12O (Z)-hex-2-en-1-ol 100.088815 0.038 2.01 1.673 1 1 20.23 3 0 7 0
NPC27765 C30H50O Alpha-Amyrin 426.39 2.3656 4.65 11.448 1 1 20.23 9 5 31 1
NPC277704 C7H8 Toluene 92.06 0.642 2.23 4.385 0 0 0 1 1 7 0
NPC277907 C15H26O (3S,6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol 222.1983655 3.7014 3 4.29 1 1 20.23 7 0 16 0
NPC277917 C10H18O 154.1357652 0.9432 2.45 2.734 1 1 20.23 4 2 11 0
NPC278068 C16H18O9 354.0950822 -2.1962 2.23 -0.447 7 6 164.75 11 2 25 1
NPC278683 C23H48 tricosane 324.3756015 -5.9454 3.99 13.427 0 0 0 20 0 23 2
NPC278872 C10H16O (1R,2S,5R)-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
NPC279120 C15H10O6 4-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenolate 285.039913 -2.6786 2.45 1.033 1 3 110.05 1 3 21 0
NPC279121 C15H10O6 Luteolin 286.05 -2.3448 2.45 1.033 1 4 107.22 5 3 21 0
NPC279300 C7H12O 112.088815 -0.1004 2.12 2.419 1 0 17.07 5 0 8 0
NPC279508 C10H16 (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
NPC28077 C5H10O 86.07316494 0.9608 1.9 0.547 1 1 20.23 4 0 6 0
NPC281131 C21H20O12 Hyperoside 464.1 -4.8921 2.45 -0.354 7 8 206.6 12 4 33 1
NPC282024 C8H14O (Z)-oct-2-enal 126.1044651 -0.3884 2.23 2.988 1 0 17.07 5 0 9 0
NPC282305 C10H18O (1R,4S)-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
NPC283600 C18H16O7 2-(3,4-dimethoxyphenyl)-5,6-dihydroxy-7-methoxychromen-4-one 344.0896029 -1.5796 2.67 1.627 1 2 94.45 4 3 25 0
NPC283655 C10H18O 154.1357652 0.9432 2.45 2.734 1 1 20.23 4 2 11 0
NPC283682 C8H18O 2-Ethylhexan-1-Ol 130.14 -1.2606 2.23 2.855 1 1 20.23 8 0 9 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
NPC284948 C25H24O12 Cynarin 516.13 -2.3865 2.89 1.514 8 7 211.28 16 3 37 1
NPC285814 C10H16O 152.1201151 0.5558 2.45 2.434 1 0 17.07 4 2 11 0
NPC286013 C20H32O (2S,4aR,4bS,7R,10aR)-7-ethenyl-1,1,4a,7-tetramethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthren-2-ol 288.2453156 2.0762 3.55 6.922 1 1 20.23 1 3 21 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
NPC287301 C29H60O (10R)-nonacosan-10-ol 424.4644165 -7.8961 4.54 14.756 1 1 20.23 26 0 30 2
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
NPC287550 C10H20O 156.1514153 0.6563 2.45 3.211 1 1 20.23 5 1 11 0
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
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
NPC289366 C15H26O 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
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
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
NPC290495 C32H52O2 468.3967309 2.7447 4.76 12.188 2 0 26.3 11 5 34 1
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
NPC291158 C18H38O Cetostearyl Alcohol 270.29 -5.0054 3.33 8.817 1 1 20.23 18 0 19 2
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
NPC292792 C11H14O2 Methyleugenol 178.1 0.9251 2.45 3.003 0 0 18.46 6 1 13 0
NPC293696 C10H16O (1S,2R,5S)-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
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
NPC294703 C4H10O Butyl Alcohol 74.07 -0.9734 1.79 0.851 1 1 20.23 4 0 5 0
NPC295442 C8H16O 128.1201151 -0.9556 2.23 2.398 1 0 17.07 7 0 9 0
NPC296337 C10H16 136.1252005 2.1434 2.56 4.181 0 0 0 3 2 10 0
NPC296881 C10H16O 4,6,6-trimethylbicyclo[3.1.1]hept-3-en-7-ol 152.1201151 0.9431 2.45 1.881 1 1 20.23 0 1 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
NPC298006 C27H30O15 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,4S,5S)-3,4,5-trihydroxy-6-[[(2R,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one 594.1584703 -5.3386 2.78 -0.909 10 9 245.29 6 5 42 1
NPC299529 C10H16 (6S)-3-methylidene-6-propan-2-ylcyclohexene 136.1252005 1.5645 2.56 4.472 0 0 0 1 1 10 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
NPC301585 C14H28O2 Myristic Acid 228.21 -3.3217 2.78 6.432 2 1 37.3 14 0 16 2
NPC302857 C16H18O9 Chlorogenic Acid 354.1 -2.1962 2.23 -0.447 7 6 164.75 11 2 25 1
NPC303090 C25H24O12 516.1267762 -2.3865 2.89 1.514 12 7 211.28 16 3 37 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
NPC307837 C8H16O2 3-methylbutyl propanoate 144.1150298 0.2915 2.12 2.352 2 0 26.3 5 0 10 0
NPC307993 C15H10O5 7-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-5-olate 269.0449984 -2.2183 2.56 1.567 1 2 89.82 1 3 20 0
NPC308108 C10H14O 150.1044651 1.2447 2.45 1.87 1 0 17.07 3 1 11 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
NPC308749 C22H46 docosane 310.3599515 -5.6574 3.88 12.858 0 0 0 19 0 22 2
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
NPC309399 C20H30O2 Abietic Acid 302.22 1.3773 3.44 6.113 2 1 37.3 7 3 22 1
NPC309856 C8H7NO4 (Z)-4-(5-nitrofuran-2-yl)but-3-en-2-one 181.0375077 0.6132 1.79 1.574 1 0 73.35 3 1 13 0
NPC30991 C12H20O 180.1514153 0.8621 2.67 3.925 1 0 17.07 1 2 13 0
NPC310758 C9H12 120.0939004 0.9489 2.45 5.277 0 0 0 3 1 9 1
NPC310820 C6H10O (Z)-hex-2-enal 98.07316494 0.1876 2.01 1.85 1 0 17.07 3 0 7 0
NPC312132 C10H14O Carvacrol 150.1 0.7546 2.45 3.556 0 1 20.23 5 1 11 0
NPC312391 C16H14O4 270.0892089 -0.7121 2.78 2.605 1 2 66.76 4 3 20 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
NPC32279 C7H14O Heptanal 114.1 -1.2583 2.12 2.863 1 0 17.07 6 0 8 0
NPC325345 C6H12O 100.09 -1.9507 2.01 1.329 1 1 20.23 1 1 7 0
NPC33407 C10H14 1-ethyl-3,5-dimethylbenzene 134.1095504 1.5909 2.56 5.6 0 0 0 1 1 10 1
NPC33761 C8H14O 126.1044651 -0.3884 2.23 2.988 1 0 17.07 6 0 9 0
NPC34589 C7H12O (Z)-hept-2-enal 112.088815 -0.1004 2.12 2.419 1 0 17.07 4 0 8 0
NPC35371 C9H18O2 158.1306798 -0.5461 2.23 2.706 2 0 26.3 9 0 11 0
NPC35519 C15H26O 222.1983655 2.7502 3 4.085 1 1 20.23 9 1 16 0
NPC35543 C16H16O2 3,5-O-Dimethylpinosylvin 240.12 0.3642 3 6.492 0 0 18.46 6 2 18 1
NPC3649 C10H16 136.1252005 2.7208 2.56 3.326 0 0 0 3 1 10 0
NPC37331 C25H24O12 1,5-O-Trans-Dicaffeoylquinic Acid 516.13 -2.3865 2.89 1.514 8 7 211.28 16 3 37 1
NPC38497 C8H14O 126.1044651 1.5927 2.23 1.796 1 0 17.07 6 0 9 0
NPC38941 C15H20O4 (3aS,7R,9S,10Z,11aR)-7,9-dihydroxy-10-methyl-3,6-dimethylidene-4,5,7,8,9,11a-hexahydro-3aH-cyclodeca[b]furan-2-one 264.1361591 0.499 2.67 0.348 4 2 66.76 0 2 19 0
NPC39483 C15H22 1,1,7,7a-tetramethyl-2,6,7,7b-tetrahydro-1aH-cyclopropa[a]naphthalene 202.1721507 2.1488 3.11 6.184 0 0 0 0 3 15 1
NPC39654 C9H18O (3R)-non-1-en-3-ol 142.1357652 -1.1919 2.34 3.276 1 1 20.23 6 0 10 0
NPC39829 C11H14O3 (6R)-8-methyl-5,6,7,8-tetrahydronaphthalene-1,3,6-triol 194.0942943 -0.9799 2.34 0.948 1 3 60.69 0 2 14 0
NPC40249 C10H16O 152.1201151 0.9693 2.45 2.127 1 0 17.07 3 2 11 0
NPC40965 C8H16O2 144.1150298 -1.1703 2.12 2.729 2 0 26.3 8 0 10 0
NPC41007 C10H20O2 172.1463299 0.4249 2.34 3.218 2 0 26.3 10 0 12 0
NPC4178 C10H14 1-ethyl-2,3-dimethylbenzene 134.1095504 1.5909 2.56 5.6 0 0 0 1 1 10 1
NPC42346 C18H16O8 5,7-dihydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxychromen-4-one 360.0845175 -2.0399 2.56 0.235 1 3 114.68 4 3 26 0
NPC42538 C10H18O [(1S,4R,5S)-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
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
NPC44671 C10H16O (1S,4S)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one 152.1201151 0.5558 2.45 2.434 1 0 17.07 1 2 11 0
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
NPC45270 C10H18O 154.1357652 0.8438 2.45 2.798 1 0 17.07 4 1 11 0
NPC45540 C10H18 (1S,4R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexane 138.1408506 0.9414 2.56 5.143 0 0 0 1 2 10 1
NPC45727 C10H16 136.1252005 1.7112 2.56 4.427 0 0 0 4 1 10 0
NPC46248 C8H16O 128.1201151 -0.9039 2.23 2.707 1 1 20.23 7 0 9 0
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
NPC46969 C17H22O7 338.136553 -1.1799 2.56 0.165 7 1 97.89 2 5 24 0
NPC47946 C12H20O2 Geranyl Acetate 196.15 2.7188 2.56 3.264 2 0 26.3 10 0 14 0
NPC48451 C10H14O (6S)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-one 150.1044651 1.8709 2.45 1.536 1 0 17.07 1 1 11 0
NPC48638 C10H16 136.1252005 1.7112 2.56 4.427 0 0 0 4 1 10 0
NPC49151 C9H18O 142.1357652 -1.8343 2.34 4.001 1 0 17.07 8 0 10 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
NPC50898 C15H10O5 Apigenin 270.05 -1.8845 2.56 1.567 1 3 86.99 4 3 20 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
NPC51758 C15H26O Nerolidol 222.2 3.7014 3 4.29 1 1 20.23 12 0 16 0
NPC52403 C5H12O 1-Pentanol 88.09 -1.2614 1.9 1.42 1 1 20.23 5 0 6 0
NPC54087 C10H18O 4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol 154.1357652 0.1751 2.45 2.847 1 1 20.23 1 2 11 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
NPC55823 C4H10 butane 58.07825032 -0.4734 1.9 2.616 0 0 0 1 0 4 0
NPC56505 C8H18O (3R)-octan-3-ol 130.1357652 -1.8481 2.23 2.807 1 1 20.23 5 0 9 0
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
NPC57030 C17H14O6 Ladanein 314.08 -1.5278 2.67 2.071 1 2 85.22 7 3 23 0
NPC57234 C10H16O (1R,4S,5S)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one 152.1201151 0.5558 2.45 2.434 1 0 17.07 1 2 11 0
NPC57877 C15H26O (1S,4R)-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
NPC58809 C2H6S methylsulfanylmethane 62.01902119 0.7952 1.57 1.311 0 0 25.3 0 0 3 0
NPC58957 C6H12O 100.088815 0.038 2.01 1.673 1 1 20.23 5 0 7 0
NPC58970 C10H14O 150.1044651 1.5954 2.45 1.756 1 0 17.07 3 1 11 0
NPC59570 C10H18O 154.1357652 0.8438 2.45 2.798 1 0 17.07 4 1 11 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
NPC6107 C9H12 120.0939004 1.926 2.45 5.031 0 0 0 3 1 9 1
NPC6169 C10H18O (4R)-3,3,6-trimethylhepta-1,5-dien-4-ol 154.1357652 2.6672 2.45 2.283 1 1 20.23 3 0 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
NPC62765 C7H6O2 Benzoic Acid 122.04 -0.2398 2.01 2.666 2 1 37.3 2 1 9 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
NPC64176 C10H16 136.1252005 3.2403 2.56 4.314 0 0 0 6 0 10 0
NPC64357 C10H18O 1-methyl-4-propan-2-ylcyclohex-2-en-1-ol 154.1357652 0.9401 2.45 2.77 1 1 20.23 1 1 11 0
NPC66577 C15H24 204.1878008 4.1708 3.11 5.94 0 0 0 4 1 15 1
NPC66655 C7H8O Benzyl Alcohol 108.06 -0.4487 2.12 2.409 1 1 20.23 2 1 8 0
NPC67552 C10H20O2 [(2S)-2-methylbutyl] (2S)-2-methylbutanoate 172.1463299 -0.1247 2.34 3.003 2 0 26.3 6 0 12 0
NPC67761 C15H26O 222.1983655 3.7014 3 4.29 1 1 20.23 12 0 16 0
NPC67788 C20H38O2 (Z)-2-ethyloctadec-9-enoate 309.2793554 -2.8931 3.44 8.573 2 0 40.13 16 0 22 2
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
NPC68919 C5H10O 3-methylbut-3-en-2-ol 86.07316494 0.6945 1.9 0.493 1 1 20.23 1 0 6 0
NPC69004 C6H8 3-methylidenecyclopentene 80.06260026 1.2977 2.12 2.322 0 0 0 0 1 6 0
NPC69394 C19H18O7 5-Hydroxy-6,7,3',4'-Tetramethoxyflavone 358.11 -1.1711 2.78 1.717 1 1 83.45 10 3 26 0
NPC70208 C24H36O6 420.2511889 1.5853 3.44 5.319 6 2 100.9 10 2 30 1
NPC7057 C15H24 (1S,4S)-1,4-dimethyl-7-propan-2-ylidene-2,3,4,5,6,8-hexahydro-1H-azulene 204.1878008 2.7962 3.11 4.984 0 0 0 0 2 15 0
NPC70940 C13H18O2 Dexibuprofen 206.13 0.9491 2.67 5.342 2 1 37.3 8 1 15 1
NPC71163 C20H32O3 (E)-5-[(1S,4aR,6S,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enoic acid 320.2351449 1.9039 3.33 4.889 3 2 57.53 4 2 23 0
NPC71506 C10H18O 154.1357652 1.1223 2.45 1.947 1 1 20.23 5 1 11 0
NPC71613 C10H14O (1S,5R)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-7-one 150.1044651 1.3376 2.45 1.578 1 0 17.07 0 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
NPC72178 C9H18O non-1-en-3-ol 142.1357652 -1.1919 2.34 3.276 1 1 20.23 6 0 10 0
NPC7491 C15H24O 220.18 1.9144 3 4.607 1 0 12.53 3 3 16 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
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
NPC75204 C6H10O 98.07316494 0.1876 2.01 1.85 1 0 17.07 4 0 7 0
NPC76145 C10H16 Limonene 136.13 2.1424 2.56 3.729 0 0 0 3 1 10 0
NPC76336 C10H8O4 Scopoletin 192.04 -0.2421 2.12 1.088 1 1 55.76 3 2 14 0
NPC76380 C15H10O6 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-olate 285.039913 -2.6747 2.45 1.915 2 3 110.05 1 3 21 0
NPC76817 C15H24 1,1,4,7-tetramethyl-1a,2,3,4,4a,5,6,7b-octahydrocyclopropa[e]azulene 204.1878008 2.5253 3.11 5.944 0 0 0 0 3 15 1
NPC78500 C7H6O Benzaldehyde 106.04 -0.1924 2.12 3.08 1 0 17.07 1 1 8 0
NPC78551 C10H16 136.1252005 1.3695 2.56 4.222 0 0 0 2 1 10 0
NPC78688 C11H22O2 4-methylpentyl 2-methylbutanoate 186.1619799 0.5191 2.45 3.783 2 0 26.3 7 0 13 0
NPC78954 C9H10O 134.0731649 0.0191 2.34 3.808 1 1 20.23 3 1 10 0
NPC80290 C15H26O (1R,2E,4S,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
NPC81989 C5H10O 86.07316494 -0.0399 1.9 1 1 1 20.23 4 0 6 0
NPC8235 C8H10 P-Xylene 106.08 1.284 2.34 4.708 0 0 0 2 1 8 0
NPC82623 C30H50O2 442.3810808 1.8942 4.54 10.256 2 2 40.46 13 5 32 1
NPC83187 C10H16O Thujone 152.12 0.5558 2.45 2.434 1 0 17.07 4 2 11 0
NPC83508 C17H14O7 Jaceosidine 330.07 -1.9881 2.56 0.679 1 3 105.45 8 3 24 0
NPC83831 C20H30O2 (1R,4aR,4bS,10aR)-1,4a-dimethyl-7-propan-2-ylidene-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid 302.2245802 2.1484 3.44 5.776 2 1 37.3 1 3 22 1
NPC84030 C10H20O 156.1514153 0.6563 2.45 3.211 1 1 20.23 5 1 11 0
NPC8466 C4H6O Crotonaldehyde 70.04 0.6082 1.79 0.817 1 0 17.07 2 0 5 0
NPC85185 C4H6O (Z)-but-2-enal 70.04186481 0.6082 1.79 0.817 1 0 17.07 1 0 5 0
NPC86670 C13H18O2 (R)-Ibuprophen 206.13 0.9491 2.67 5.342 2 1 37.3 8 1 15 1
NPC87566 C10H16O 4-methylidene-1-propan-2-ylcyclohex-2-en-1-ol 152.1201151 1.1254 2.45 1.837 1 1 20.23 1 1 11 0
NPC87828 C12H20O2 196.1463299 1.3223 2.56 3.474 2 0 26.3 6 2 14 0
NPC88278 C6H12O6 Inositol 180.06 -3.0642 1.46 -1.458 6 6 121.38 6 1 12 1
NPC88325 C8H16 Oct-1-Ene 112.13 -0.1376 2.34 4.526 0 0 0 6 0 8 0
NPC88566 C10H14 134.1095504 1.2149 2.56 5.785 0 0 0 4 1 10 1
NPC89069 C10H18O 154.1357652 0.9432 2.45 2.734 1 1 20.23 4 2 11 0
NPC90232 C25H52 pentacosane 352.4069017 -6.5214 4.21 14.565 0 0 0 22 0 25 2
NPC90566 C24H50 tetracosane 338.3912516 -6.2334 4.1 13.996 0 0 0 21 0 24 2
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
NPC91858 C20H32O2 304.2402303 0.9855 3.44 6.219 2 2 40.46 7 3 22 1
NPC92197 C10H16 3-methyl-6-propan-2-ylidenecyclohexene 136.1252005 2.2798 2.56 3.981 0 0 0 0 1 10 0
NPC92592 C7H12O hept-2-enal 112.088815 -0.1004 2.12 2.419 1 0 17.07 4 0 8 0
NPC92774 C16H18O9 (3R,5R)-4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,3,5-trihydroxycyclohexane-1-carboxylic acid 354.0950822 -2.1962 2.23 -0.876 7 6 164.75 5 2 25 1
NPC94196 C6H12O2 116.0837296 -0.0853 1.9 0.183 2 1 37.3 6 0 8 0
NPC94927 C15H22O 11,11-dimethyl-4,8-dimethylidenebicyclo[7.2.0]undecan-5-one 218.1670653 2.342 3 4.116 1 0 17.07 0 2 16 0
NPC94980 C4H6O But-3-En-2-One 70.04 0.3469 1.79 0.474 1 0 17.07 2 0 5 0
NPC95037 C15H26O2 3,7-dimethylocta-2,6-dienyl 3-methylbutanoate 238.1932801 3.3166 2.89 4.594 2 0 26.3 8 0 17 0
NPC95443 C20H32O 288.2453156 2.5244 3.55 7.477 1 0 17.07 4 2 21 1
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
NPC96294 C16H18O9 Scopolin 354.1 -1.989 2.23 -0.02 6 4 134.91 9 3 25 0
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
NPC96953 C5H10O (Z)-2-methylbut-2-en-1-ol 86.07316494 0.905 1.9 0.491 1 1 20.23 1 0 6 0
NPC98246 C10H16O 152.1201151 0.5558 2.45 2.434 1 0 17.07 4 2 11 0
NPC9880 C12H20O2 196.1463299 1.3223 2.56 3.474 2 0 26.3 6 2 14 0

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1. General Information & structure data (InChi, InChiKey, SMILES)  
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