638 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.



123 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
NPC100445 C10H18O 154.1357652 1.5645 2.45 2.515 1 1 20.23 4 1 11 0
NPC100551 C7H6O3 Salicylic Acid 138.03 -0.7001 1.9 2.264 2 2 57.53 3 1 10 0
NPC100809 C10H14O Perillaldehyde 150.1 1.308 2.45 2.355 1 0 17.07 3 1 11 0
NPC100879 C15H24 204.1878008 3.953 3.11 5.148 0 0 0 4 1 15 1
NPC101285 C15H24O 220.1827154 1.9144 3 4.607 1 0 12.53 3 3 16 0
NPC101294 C18H16O5 Trimethylapigenin 312.1 -0.659 2.89 3.124 1 0 53.99 7 3 23 0
NPC101724 C11H18 2-ethenyl-1,1-dimethyl-3-methylidenecyclohexane 150.1408506 1.9689 2.67 4.936 0 0 0 1 1 11 0
NPC102091 C10H14 1-methyl-2-propan-2-ylbenzene 134.1095504 1.2149 2.56 5.785 0 0 0 1 1 10 1
NPC102158 C20H30O2 (3S,4aS)-1,1,4a-trimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-3,6-diol 302.2245802 1.1002 3.44 6.126 1 2 40.46 1 3 22 1
NPC10285 C9H13NO2 [(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-methylazanium 168.1024537 -2.301 2.12 0.576 1 3 57.07 3 1 12 0
NPC10286 C9H13NO2 4-[(1R)-1-Hydroxy-2-(Methylamino)Ethyl]Phenol 167.09 -1.2775 2.12 0.464 2 3 52.49 6 1 12 0
NPC103213 C15H26O Farnesol 222.2 3.5719 3 4.346 1 1 20.23 12 0 16 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
NPC10384 C15H22 (4E)-3,3-dimethyl-4-(3-methylbut-3-enylidene)-5-methylidenebicyclo[4.1.0]heptane 202.1721507 3.2166 3.11 5.789 0 0 0 2 2 15 1
NPC104323 C10H16O (1S,4S)-1-methyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol 152.1201151 1.7929 2.45 2.068 1 1 20.23 1 1 11 0
NPC105095 C28H34O15 610.1897704 -4.86 2.89 -1.489 10 8 234.29 17 5 43 1
NPC105509 C15H24 1,1,4,7-tetramethyl-1a,2,3,4,5,6,7,7b-octahydrocyclopropa[e]azulene 204.1878008 2.051 3.11 5.835 0 0 0 0 3 15 1
NPC10559 C40H56O4 (1R,3S,6S)-6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,3S,6S)-3-hydroxy-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol 600.4178603 6.87 5.42 8.964 4 2 65.52 10 4 44 1
NPC105829 C10H18O (2S)-dec-3-yn-2-ol 154.1357652 -0.9073 2.45 3.634 1 1 20.23 4 0 11 0
NPC106250 C15H24O 220.1827154 1.9144 3 4.607 1 0 12.53 0 3 16 0
NPC107122 C10H16 (3E,5E)-3,7-dimethylocta-1,3,5-triene 136.1252005 2.6624 2.56 4.534 0 0 0 3 0 10 0
NPC107482 C6H6O3 5-Hydroxymethyl-Furfural 126.03 -0.7952 1.79 0.422 2 1 50.44 3 1 9 0
NPC1075 C9H8O4 (Z)-3-(3,4-Dihydroxyphenyl)Prop-2-Enoic Acid 180.04 -0.7993 2.01 1.141 2 3 77.76 5 1 13 0
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
NPC108663 C10H16O (5R)-2-methyl-5-propan-2-ylcyclohex-2-en-1-one 152.1201151 1.0144 2.45 2.572 1 0 17.07 1 1 11 0
NPC109813 C15H24 Beta-Caryophyllene 204.19 3.2289 3.11 6.044 0 0 0 3 2 15 1
NPC110639 C20H20O7 5,7,8,3',4'-Pentamethoxyflavone 372.12 -0.7626 2.89 2.236 1 0 72.45 11 3 27 0
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
NPC110899 C9H10O5 Syringic Acid 198.05 -0.8037 1.9 0.182 2 2 75.99 7 1 14 0
NPC111888 C8H8O4 Vanillic Acid 168.04 -0.7519 1.9 0.626 2 2 66.76 5 1 12 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
NPC114080 C10H16 1,5,5-trimethyl-6-methylidenecyclohexene 136.1252005 2.6583 2.56 4.199 0 0 0 0 1 10 0
NPC114239 C10H16 136.1252005 1.5162 2.56 4.177 0 0 0 3 1 10 0
NPC114529 C13H19N5O5 [5-[4-(methylcarbamoylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl N-methylcarbamate 325.1386187 -1.6908 1.79 1.02 10 3 131.83 5 2 23 0
NPC116260 C20H18O8 2-(1,3-benzodioxol-5-yl)-5,6,7,8-tetramethoxychromen-4-one 386.1001675 -1.0135 2.78 1.719 1 0 81.68 5 4 28 0
NPC116315 C55H98O7 870.7312555 -4.8876 6.74 20.295 7 3 105.45 29 5 62 2
NPC116502 C14H22 12-methyltrideca-1,5,9,11-tetraene 190.1721507 4.2217 3 6.062 0 0 0 7 0 14 1
NPC116762 C21H36O2 methyl icosa-5,8,11-trienoate 320.2715304 0.1207 3.55 8.997 2 0 26.3 16 0 23 2
NPC116994 C19H18O7 3-hydroxy-5,6,7-trimethoxy-2-(4-methoxyphenyl)chromen-4-one 358.1052529 -1.1672 2.78 3.028 2 1 83.45 5 3 26 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
NPC117572 C20H30O2 Icosapent 302.22 2.1145 3.44 8.022 2 1 37.3 15 0 22 2
NPC119090 C11H12O5 (Z)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoic acid 224.0684735 -0.4426 2.12 0.787 2 2 75.99 4 1 16 0
NPC119271 C12H14O4 Diethyl Phthalate 222.09 0.5232 2.34 3.18 4 0 52.6 8 1 16 0
NPC119942 C28H34N2O (4E)-5,9-dimethyl-N-(2-phenylaziridin-1-yl)-1-(3-phenyloxiran-2-yl)deca-4,8-dien-1-imine 414.2671137 2.586 4.21 9.135 3 0 27.9 10 4 31 1
NPC120163 C17H14O6 Cirsimaritin 314.08 -1.5278 2.67 1.642 1 2 85.22 7 3 23 0
NPC120253 C12H10O5 5-[(5-formylfuran-2-yl)methoxymethyl]furan-2-carbaldehyde 234.0528234 -0.8239 2.23 1.862 3 0 69.65 6 2 17 0
NPC120867 C10H18O (1R,4R)-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
NPC120926 C15H24 Germacrene D 204.19 2.7967 3.11 6.294 0 0 0 4 1 15 1
NPC122962 C8H18O 130.1357652 -1.8481 2.23 2.807 1 1 20.23 8 0 9 0
NPC12319 C10H16O 152.1201151 2.4893 2.45 2.701 1 0 17.07 7 0 11 0
NPC123389 C18H16O6 5-hydroxy-7,8-dimethoxy-2-(4-methoxyphenyl)chromen-4-one 328.0946882 -1.1193 2.78 2.161 1 1 74.22 4 3 24 0
NPC123551 C14H22O3 3-[(E)-dec-2-enyl]oxolane-2,5-dione 238.1568946 -0.9274 2.67 4.459 3 0 43.37 8 1 17 0
NPC124830 C9H13NO2 4-[(1S)-1-hydroxy-2-(methylamino)ethyl]phenol 167.0946287 -1.2775 2.12 0.464 2 3 52.49 3 1 12 0
NPC12509 C24H30O9 462.1889825 -1.5011 3.11 1.001 9 2 131.89 5 5 33 0
NPC125191 C20H36O2 ethyl (9E,12E)-octadeca-9,12-dienoate 308.2715304 -0.4471 3.44 8.609 2 0 26.3 16 0 22 2
NPC125732 C8H11NO Tyramine 137.08 -0.943 2.12 1.104 1 2 46.25 4 1 10 0
NPC125935 C30H50O2 (3S,14bR)-8a-(hydroxymethyl)-4,4,6a,6a,11,11,14b-heptamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-ol 442.3810808 2.3729 4.54 9.165 2 2 40.46 1 5 32 1
NPC126240 C12H20O2 [(1R,3S)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] acetate 196.1463299 1.3223 2.56 3.474 2 0 26.3 2 2 14 0
NPC12664 C10H16 (1R,6S)-4,7,7-trimethylbicyclo[4.1.0]hept-4-ene 136.1252005 1.9812 2.56 4.177 0 0 0 0 2 10 0
NPC126880 C18H18B2O5 5-methyl-2,7-diphenyl-5,5a,8a,8b-tetrahydro-3aH-di[1,3,2]dioxaborolo[3,4-a:4',3'-d]pyran 336.1340345 -0.7886 2.67 5.105 5 0 46.15 2 5 25 1
NPC127588 C19H23NO4 329.1627082 -1.0531 3 1.1 3 1 59 2 4 24 0
NPC128726 C10H18O2 (1R,2R,3S,4S)-4,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diol 170.1306798 0.1769 2.34 1.922 2 2 40.46 0 2 12 0
NPC128863 C18H16O8 360.0845175 -2.0399 2.56 0.664 1 3 114.68 10 3 26 0
NPC129680 C19H18O6 5,7,8-trimethoxy-2-(4-methoxyphenyl)chromen-4-one 342.1103383 -0.7108 2.89 2.68 1 0 63.22 5 3 25 0
NPC130760 C28H34O15 (2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one 610.1897704 -4.86 2.89 -1.489 10 8 234.29 7 5 43 1
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
NPC132428 C26H32O9 488.2046326 -1.1888 3.33 1.538 9 2 131.89 1 6 35 0
NPC133097 C12H20O (2E)-1-ethenoxy-3,7-dimethylocta-2,6-diene 180.1514153 2.8324 2.67 3.847 1 0 9.23 6 0 13 0
NPC134825 C7H9N N-Methylaniline 107.07 -0.3181 2.12 2.367 1 1 12.03 2 1 8 0
NPC135353 C12H24O dodecanal 184.1827154 -2.6983 2.67 5.708 1 0 17.07 10 0 13 1
NPC137123 C8H8O4 2-hydroxy-2-(4-hydroxyphenyl)acetic acid 168.0422587 -1.3175 1.9 0.298 3 3 77.76 2 1 12 0
NPC137472 C7H14 (Z)-5-methylhex-2-ene 98.10955045 1.5426 2.23 3.851 0 0 0 2 0 7 0
NPC137816 C27H32O14 7-[(2S,4R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one 580.1792057 -4.8082 2.89 -1.045 10 8 225.06 6 5 41 1
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
NPC138360 C19H18O8 3',4'-Didemethylnobiletin 374.1 -1.6314 2.67 1.183 1 2 103.68 11 3 27 0
NPC138397 C30H42O (1R)-3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E)-3,7,12,16-tetramethylheptadeca-1,3,5,7,9,11,13,15-octaenyl]cyclohex-3-en-1-ol 418.323566 7.4169 4.65 8.973 1 1 20.23 8 1 31 1
NPC138440 C20H30O2.Na sodium;icosa-5,8,11,14,17-pentaenoate 301.2167552 1.4367 3.44 7.541 2 0 40.13 13 0 22 2
NPC13884 C10H16O (3R,6S)-3-methyl-6-prop-1-en-2-ylcyclohexen-1-ol 152.1201151 1.6689 2.45 2.601 1 1 20.23 1 1 11 0
NPC138867 C20H20O8 2-(3,4-dimethoxyphenyl)-7-hydroxy-5,6,8-trimethoxychromen-4-one 388.1158176 -1.2229 2.78 1.273 1 1 92.68 6 3 28 0
NPC138932 C15H22O (2E,6E,9E)-2,6,10-trimethyldodeca-2,6,9,11-tetraenal 218.1670653 3.6381 3 4.762 1 0 17.07 7 0 16 0
NPC139029 C16H30O2 254.2245802 -1.7667 3 7.054 2 1 37.3 15 0 18 2
NPC13933 C17H16O4 2-(4-hydroxyphenyl)ethyl 3-(4-hydroxyphenyl)prop-2-enoate 284.104859 -0.3834 2.89 3.877 2 2 66.76 6 2 21 0
NPC139510 C12H18N2O4 5-(4-hydroxypentan-2-yl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione 254.1266571 -0.4722 2.12 1.609 6 3 102.48 5 1 18 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
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
NPC13991 C10H16 Alpha-Pinene 136.13 1.5162 2.56 4.177 0 0 0 3 1 10 0
NPC141078 C27H32O14 7-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one 580.1792057 -4.8082 2.89 -1.045 10 8 225.06 6 5 41 1
NPC141777 C10H16 136.1252005 1.3875 2.56 4.024 0 0 0 2 2 10 0
NPC142176 C9H15NO2 5-ethoxy-1,2,5,6,7,8-hexahydropyrrolizin-3-one 169.1102787 -1.1836 2.12 0.78 3 0 29.54 2 2 12 0
NPC142366 C17H14O6 5-hydroxy-2-(4-hydroxyphenyl)-7,8-dimethoxychromen-4-one 314.0790382 -1.5278 2.67 1.642 1 2 85.22 3 3 23 0
NPC142860 C27H32O14 Naringin 580.18 -4.8082 2.89 -1.045 10 8 225.06 15 5 41 1
NPC142871 C10H16 (6R)-3-methylidene-6-propan-2-ylcyclohexene 136.1252005 1.5645 2.56 4.472 0 0 0 1 1 10 0
NPC144023 C10H16 136.1252005 1.5645 2.56 4.472 0 0 0 3 1 10 0
NPC144223 C7H5N5O3 207.039239 -0.9258 1.35 -0.76 8 4 131.55 3 2 15 0
NPC145379 C18H16O6 328.0946882 -1.1193 2.78 2.161 1 1 74.22 8 3 24 0
NPC145635 C8H11NO2 4-(2-amino-1-hydroxyethyl)phenol;hydron 154.0868036 -2.4033 2.01 0.608 1 3 68.1 2 1 11 0
NPC145638 C8H11NO2 Octopamine 153.08 -1.7093 2.01 0.074 2 3 66.48 5 1 11 0
NPC145708 C27H32O14 (2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one 580.1792057 -4.8082 2.89 -1.045 10 8 225.06 6 5 41 1
NPC146165 C18H16O8 Acerosin 360.08 -2.0399 2.56 0.235 1 3 114.68 10 3 26 0
NPC146522 C10H14 1-methyl-4-prop-1-en-2-ylcyclohexa-1,3-diene 134.1095504 2.4651 2.56 3.47 0 0 0 1 1 10 0
NPC147086 C28H34O15 (2S)-7-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one 610.1897704 -4.86 2.89 -1.489 10 8 234.29 7 5 43 1
NPC147723 C10H16O (4R)-4-propan-2-ylcyclohexene-1-carbaldehyde 152.1201151 0.727 2.45 3.171 1 0 17.07 2 1 11 0
NPC148163 C10H16O 152.1201151 1.0517 2.45 1.848 1 1 20.23 4 1 11 0
NPC148216 C10H16O (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
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
NPC148951 C15H18O3 246.1255944 1.8141 2.78 1.872 2 0 42.74 0 3 18 0
NPC149184 C20H40O2 Elcosanoic Acid 312.3 -5.0497 3.44 9.846 2 1 37.3 20 0 22 2
NPC149436 C8H8 Styrene 104.06 0.7075 2.34 4.954 0 0 0 1 1 8 0
NPC14958 C19H18O6 Tetramethylscutellarein 342.11 -0.7108 2.89 2.68 1 0 63.22 9 3 25 0
NPC152538 C27H32O14 7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one 580.1792057 -4.8082 2.89 -1.045 10 8 225.06 6 5 41 1
NPC153210 C21H36O2 methyl (8Z,11Z,14Z)-icosa-8,11,14-trienoate 320.2715304 0.1207 3.55 8.997 2 0 26.3 16 0 23 2
NPC154176 C15H14O4 Xanthoxyletin 258.09 1.126 2.67 2.488 1 0 44.76 4 3 19 0
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
NPC154480 C10H18O (1R,4S,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
NPC15573 C12H12N2O2 1,2,3,4-Tetrahydro-Beta-Carboline-3-Carboxylic Acid 216.09 -1.1637 2.34 1.46 4 3 65.12 2 3 16 0
NPC156155 C15H24 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
NPC156654 C7H6O4 Protocatechuic Acid 154.03 -1.1604 1.79 0.536 2 3 77.76 4 1 11 0
NPC156750 C10H16O (1S,4R)-1-methyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol 152.1201151 1.7929 2.45 2.068 1 1 20.23 1 1 11 0
NPC157176 C15H32 (6S,10R)-2,6,10-trimethyldodecane 212.250401 1.0494 3.11 8.692 0 0 0 9 0 15 1
NPC158179 C20H24O2 Icosa-5,8,11,14-Tetraynoic Acid 296.18 2.5493 3.44 5.573 2 1 37.3 8 0 22 1
NPC158228 C13H21N3O3 267.1582915 -0.4544 2.23 -0.929 4 1 65.37 4 2 19 0
NPC158824 C26H32O9 488.2046326 -1.1888 3.33 1.538 9 2 131.89 1 6 35 0
NPC160961 C27H36O9 504.2359327 -0.4822 3.44 1.259 8 2 135.8 6 5 36 0
NPC16157 C15H24O 220.1827154 1.9144 3 4.607 1 0 12.53 0 3 16 0
NPC161599 C7H16O (2S)-2-ethoxypentane 116.1201151 -0.3252 2.12 2.253 1 0 9.23 4 0 8 0
NPC162050 C40H60 (6E,8E,10E,12E,14E,16E,18E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,22,26,30-undecaene 540.4695019 11.273 5.86 14.67 0 0 0 18 0 40 2
NPC162822 C27H32O14 7-[(2S,3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one 580.1792057 -4.8082 2.89 -1.045 10 8 225.06 6 5 41 1
NPC163556 C8H18O Octanol 130.14 -2.1254 2.23 3.127 1 1 20.23 8 0 9 0
NPC163751 C18H34O (E)-Octadec-9-Enal 266.26 -2.2953 3.33 8.606 1 0 17.07 16 0 19 2
NPC163984 C10H14O (S)(+)Carvone 150.1 1.5954 2.45 1.756 1 0 17.07 3 1 11 0
NPC164440 C20H30O2 (5Z)-icosa-5,8,11,14,17-pentaenoic acid 302.2245802 2.1145 3.44 8.022 2 1 37.3 13 0 22 2
NPC164487 C40H56O (1R)-3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol 552.4331164 8.7123 5.75 12.649 1 1 20.23 10 2 41 1
NPC164568 C10H16O (3E,5E)-2,6-dimethylocta-3,5,7-trien-2-ol 152.1201151 2.2233 2.45 2.532 1 1 20.23 3 0 11 0
NPC164964 C56H100O7 884.7469055 -3.3959 6.85 20.318 7 3 105.45 28 5 63 2
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
NPC165949 C17H28O2 methyl (4E,7E,10E)-hexadeca-4,7,10-trienoate 264.2089301 1.2727 3.11 6.721 2 0 26.3 12 0 19 2
NPC166206 C11H18 2-ethenyl-1,3,3-trimethylcyclohexene 150.1408506 2.1771 2.67 4.438 0 0 0 1 1 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
NPC167010 C40H58O2 570.4436811 7.9667 5.64 11.869 2 2 40.46 10 2 42 1
NPC167815 C20H20O8 4'-Demethylnobiletin 388.12 -1.2229 2.78 1.273 1 1 92.68 12 3 28 0
NPC168435 C13H26O2 undecyl acetate 214.1932801 -2.6103 2.67 5.574 2 0 26.3 11 0 15 2
NPC168602 C25H28O6 424.1885886 1.0575 3.55 2.797 5 0 82.81 1 5 31 0
NPC168855 C10H14O 150.1044651 0.7758 2.45 3.609 1 1 20.23 5 1 11 0
NPC169407 C18H16O6 8-hydroxy-5,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-one 328.0946882 -1.1193 2.78 2.161 1 1 74.22 4 3 24 0
NPC169575 C20H26O5 Nobilin 346.18 2.9122 3.11 1.985 5 1 72.83 8 2 25 0
NPC170167 C14H26O2 226.1932801 1.6314 2.78 4.848 2 0 26.3 13 0 16 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
NPC171320 C17H24O2 2,2-dimethyl-3-[(E)-3-methyl-5-phenylmethoxypent-3-enyl]oxirane 260.17763 0.9473 3.11 4.62 2 0 21.76 7 2 19 0
NPC17263 C10H14 (3E,5E)-2,6-dimethylocta-1,3,5,7-tetraene 134.1095504 3.2434 2.56 4.128 0 0 0 3 0 10 0
NPC172642 C10H18O 2-methyl-5-propan-2-ylcyclohex-2-en-1-ol 154.1357652 0.9883 2.45 2.515 1 1 20.23 1 1 11 0
NPC173295 C9H11NO2 2-Methylaminobenzoic Acid Methyl Ester 165.08 -0.3069 2.12 2.354 3 1 38.33 5 1 12 0
NPC173695 C26H30O10 502.1838972 -0.548 3.22 0.365 10 1 137.96 1 7 36 0
NPC173760 C10H16O (3S,6R)-3-methyl-6-prop-1-en-2-ylcyclohexen-1-ol 152.1201151 1.6689 2.45 2.601 1 1 20.23 1 1 11 0
NPC173914 C10H18 (6Z)-2,6-dimethylocta-2,6-diene 138.1408506 3.2279 2.56 4.194 0 0 0 3 0 10 0
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
NPC174360 C27H34O9 502.2202827 -0.3679 3.44 1.942 8 1 124.8 4 6 36 0
NPC175122 C10H16O (1R,3R,6S)-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
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
NPC176132 C16H26O2 [(3S,6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl] formate 250.1932801 4.0017 3 4.794 2 0 26.3 9 0 18 0
NPC176740 C27H30O16 Rutin 610.15 -6.139 2.67 -1.188 11 10 265.52 17 5 43 2
NPC176775 C19H18O7 Gardenin B 358.11 -1.1711 2.78 1.717 1 1 83.45 10 3 26 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
NPC177148 C19H18O6 3,6,7-trimethoxy-2-(4-methoxyphenyl)chromen-4-one 342.1103383 -1.0509 2.89 3.364 2 0 63.22 5 3 25 0
NPC177731 C28H34O15 610.1897704 -4.86 2.89 -1.489 10 8 234.29 17 5 43 1
NPC177771 C28H34O15 7-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one 610.1897704 -4.86 2.89 -1.489 10 8 234.29 7 5 43 1
NPC177793 C29H50O (3R,8S,9S,10R,13R,14S,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
NPC17810 C40H56 Beta Carotene 536.44 8.935 5.86 14.734 0 0 0 20 2 40 1
NPC178777 C15H24 (1Z,5Z,8S)-1,5-dimethyl-8-prop-1-en-2-ylcyclodeca-1,5-diene 204.1878008 3.3746 3.11 5.551 0 0 0 1 1 15 1
NPC179088 C15H26O2 (1R,4S,4aR,8aS)-1-methyl-6-methylidene-4-propan-2-yl-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1,4a-diol 238.1932801 0.5721 2.89 2.771 2 2 40.46 1 2 17 0
NPC179540 C24H30O9 462.1889825 -1.5011 3.11 1.001 9 2 131.89 5 5 33 0
NPC179831 C8H16O 128.1201151 -1.5463 2.23 3.432 1 0 17.07 7 0 9 0
NPC180555 C17H32O heptadec-13-yn-1-ol 252.2453156 -2.8502 3.22 7.038 1 1 20.23 12 0 18 2
NPC180823 C17H28O2 3,7,11-trimethyldodeca-2,6,10-trienyl acetate 264.2089301 3.951 3.11 5.086 2 0 26.3 9 0 19 1
NPC180871 C10H18O Linalool 154.14 2.4692 2.45 2.468 1 1 20.23 8 0 11 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
NPC182840 C10H18O Nerol 154.14 2.3397 2.45 2.524 1 1 20.23 8 0 11 0
NPC182842 C20H20O7 6,7-Dimethoxy-3-(2,4,5-Trimethoxyphenyl)Chromen-4-One 372.12 -0.9257 2.89 2.181 1 0 72.45 11 3 27 0
NPC18351 C28H34O9 514.2202827 0.2549 3.55 2.498 8 0 121.64 3 6 37 0
NPC183923 C27H32O15 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]oxy-2,3-dihydrochromen-4-one 596.1741203 -5.2685 2.78 -1.579 10 9 245.29 6 5 42 1
NPC184479 C17H32O2 [(E)-10-methyltridec-11-enyl] propanoate 268.2402303 -0.7131 3.11 7.058 2 0 26.3 13 0 19 2
NPC185574 C18H30O2 methyl (E)-heptadec-10-en-8-ynoate 278.2245802 -0.8305 3.22 7.136 2 0 26.3 12 0 20 2
NPC186996 C12H18O2 (4-prop-1-en-2-ylcyclohexen-1-yl)methyl acetate 194.1306798 1.4308 2.56 2.588 2 0 26.3 4 1 14 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
NPC188241 C19H34O2 methyl (12E,15E)-octadeca-12,15-dienoate 294.2558803 -1.2411 3.33 8.186 2 0 26.3 15 0 21 2
NPC188261 C10H18O2 170.1306798 1.0126 2.34 0.905 2 2 40.46 5 0 12 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
NPC189241 C15H26O (1R,4R,5S)-4-methyl-1-[(2S)-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
NPC189508 C10H18O 3,7,7-trimethylbicyclo[2.2.1]heptan-3-ol 154.1357652 0.8417 2.45 2.756 1 1 20.23 0 2 11 0
NPC189978 C11H20 undec-1-yne 152.1565006 -1.1374 2.67 5.464 0 0 0 7 0 11 1
NPC190232 C15H24 204.1878008 3.2309 3.11 6.071 0 0 0 6 1 15 1
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
NPC190873 C20H22N2O2 322.1681279 0.7701 3.22 2.924 4 0 34.47 2 5 24 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
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
NPC193454 C12H16O2 (2-methyl-5-propan-2-ylphenyl) acetate 192.1150298 1.1337 2.56 4.296 1 0 26.3 3 1 14 0
NPC195246 C10H18O 154.1357652 2.0432 2.45 3.591 1 0 17.07 8 0 11 0
NPC195389 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
NPC19560 C27H32O15 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one 596.1741203 -5.2685 2.78 -1.579 10 9 245.29 6 5 42 1
NPC196439 C19H18O8 3',5-Dihydroxy-4',6,7,8-Tetramethoxyflavone 374.1 -1.6314 2.67 0.754 1 2 103.68 11 3 27 0
NPC196442 C10H20O2 172.1463299 -1.7463 2.34 3.867 2 0 26.3 10 0 12 0
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
NPC196832 C33H44O2 (3E,5E,7E,9E,11E,13E,15E,17E,19E)-20-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-5,9,14,18-tetramethylicosa-3,5,7,9,11,13,15,17,19-nonaen-2-one 472.3341306 6.8821 4.87 8.685 2 1 37.3 10 1 35 1
NPC197193 C7H16O 3-methylhexan-1-ol 116.1201151 -0.5844 2.12 2.497 1 1 20.23 4 0 8 0
NPC197467 C17H28O2 264.2089301 3.951 3.11 5.086 2 0 26.3 14 0 19 1
NPC197566 C18H36N4O10 (2R,3S,4R,6S)-5-amino-6-[4,6-diamino-3-[(2R,3R,4S,5S)-3,5-dihydroxy-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-2-(hydroxymethyl)oxane-3,4-diol 468.2431434 -6.5512 1.9 -4.853 14 10 248.39 6 3 32 2
NPC198198 C10H16 (3E)-3,7-dimethylocta-1,3,7-triene 136.1252005 3.0936 2.56 4.17 0 0 0 4 0 10 0
NPC19834 C17H24O Falcarinol 244.18 1.0335 3.22 6.197 1 1 20.23 10 0 18 1
NPC198658 C10H16 (3Z)-3,7-dimethylocta-1,3,6-triene 136.1252005 3.2403 2.56 4.314 0 0 0 3 0 10 0
NPC201057 C28H34O10 530.2151973 -0.8097 3.44 2.278 10 1 137.96 3 6 38 0
NPC201159 C7H14 (E)-5-methylhex-2-ene 98.10955045 1.5426 2.23 3.851 0 0 0 2 0 7 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
NPC201547 C22H24O9 3,5,6,7,8,3',4'-Heptamethoxyflavone 432.14 -1.2063 2.89 2.032 2 0 90.91 15 3 31 0
NPC201704 C10H16O (1R,5S)-2-methylidene-5-prop-1-en-2-ylcyclohexan-1-ol 152.1201151 1.4226 2.45 1.744 1 1 20.23 1 1 11 0
NPC201844 C12H24O2 Dodecanoate 200.18 -2.7457 2.56 5.294 2 1 37.3 12 0 14 1
NPC202189 C15H24 204.1878008 2.2115 3.11 5.46 0 0 0 5 2 15 1
NPC202245 C10H22 1-deuteriodecane 142.1721507 -2.2014 2.56 6.03 0 0 0 7 0 10 1
NPC202977 C40H56O (1R)-3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol 552.4331164 9.3876 5.75 13.102 1 1 20.23 10 2 41 1
NPC203052 C10H16O 2-(4-methylcyclohex-3-en-1-yl)propanal 152.1201151 1.0909 2.45 2.87 1 0 17.07 2 1 11 0
NPC203719 C8H8O3 Vanillin 152.05 -0.7045 2.01 1.04 1 1 46.53 4 1 11 0
NPC204122 C10H18O 2-ethenyl-6-methylhept-5-en-1-ol 154.1357652 2.0201 2.45 2.705 1 1 20.23 5 0 11 0
NPC204433 C23H32O 2-[(1E,3E,5E)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hexa-1,3,5-trienyl]cyclohexene-1-carbaldehyde 324.2453156 2.7524 3.88 7.104 1 0 17.07 5 2 24 1
NPC204498 C10H16O 2-(4-methylidenecyclohexyl)prop-2-en-1-ol 152.1201151 0.905 2.45 1.893 1 1 20.23 2 1 11 0
NPC20536 C9H16 2,5-dimethylhepta-1,6-diene 124.1252005 2.3128 2.45 4.157 0 0 0 4 0 9 0
NPC205522 C20H20O7 372.120903 -0.7626 2.89 2.236 1 0 72.45 11 3 27 0
NPC205959 C40H56O2 (1R,3S,6S)-1,5,5-trimethyl-6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-7-oxabicyclo[4.1.0]heptan-3-ol 568.428031 7.9025 5.64 11.849 2 1 32.76 10 3 42 1
NPC206480 C12H22O2 [(3R)-3,7-dimethyloct-6-enyl] acetate 198.1619799 1.8432 2.56 4.026 2 0 26.3 7 0 14 0
NPC206800 C9H8O2 Cinnamic Acid 148.05 0.1213 2.23 3.904 2 1 37.3 3 1 11 0
NPC206807 C27H38O15 8-[3-[(2S,3S,6S)-6-[[(2R,3R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,4-trihydroxyoxan-2-yl]oxy-2-hydroxy-3-methylbutyl]-5,7-dimethoxychromen-2-one 602.2210705 -3.4709 2.78 -0.843 12 7 223.29 11 4 42 3
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
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
NPC209296 C28H32O15 Diosmin 608.17 -4.9301 2.89 -0.819 10 8 234.29 17 5 43 1
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
NPC210560 C10H20O 156.1514153 1.4641 2.45 3.286 1 1 20.23 9 0 11 0
NPC210831 C15H24 204.1878008 1.7635 3.11 6.499 0 0 0 1 1 15 1
NPC210914 C18H15FN2O3S (5E)-5-[(3-fluorophenyl)methylidene]-3-[(2-methoxyanilino)methyl]-1,3-thiazolidine-2,4-dione 358.0787416 0.3847 2.67 4.151 4 1 83.94 5 3 25 0
NPC211171 C16H24O2 2-heptyl-4-phenyl-1,3-dioxolane 248.17763 -1.8915 3 6.365 2 0 18.46 7 2 18 1
NPC211960 C27H32O15 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,4R,5S)-3,4,5-trihydroxy-6-[[(2R,4R,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one 596.1741203 -5.2685 2.78 -1.579 10 9 245.29 6 5 42 1
NPC212819 C40H58O3 586.4385957 7.53 5.53 9.919 3 2 52.99 11 3 43 2
NPC213 C9H13NO2 Oxedrine 167.09 -1.2775 2.12 0.464 2 3 52.49 6 1 12 0
NPC213749 C10H16 136.1252005 2.4017 2.56 3.852 0 0 0 4 1 10 0
NPC213903 C15H24 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
NPC214067 C16H22O4 Bis(2-Methylpropyl) Benzene-1,2-Dicarboxylate 278.15 0.9868 2.78 4.49 4 0 52.6 12 1 20 0
NPC214285 C40H62 (6E,10E,12E,14E,16E,18E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,22,26,30-decaene 542.485152 11.1232 5.86 14.712 0 0 0 19 0 40 2
NPC214584 C10H18O 154.1357652 1.1223 2.45 2.369 1 1 20.23 5 1 11 0
NPC214770 C30H48O Cycloartenone 424.37 3.8673 4.65 11.314 1 0 17.07 11 5 31 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
NPC215932 C20H20O7 Sinensetin 372.12 -0.7626 2.89 2.236 1 0 72.45 11 3 27 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
NPC216919 C10H12 1-methyl-3-prop-1-en-2-ylbenzene 132.0939004 1.7959 2.56 5.339 0 0 0 1 1 10 1
NPC217226 C5H4O2 Furfural 96.02 -0.3465 1.79 1.057 1 0 30.21 1 1 7 0
NPC218713 C21H36O2 methyl (5E,8E,11E)-icosa-5,8,11-trienoate 320.2715304 0.1207 3.55 8.997 2 0 26.3 16 0 23 2
NPC218812 C18H36N4O10 (2R,3S,4R,5R,6S)-5-amino-6-[(1R,2S,3S,4R,6S)-4,6-diamino-3-[(2S,3S,4R,5R)-3,5-dihydroxy-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-2-(hydroxymethyl)oxane-3,4-diol 468.2431434 -6.5512 1.9 -4.853 14 10 248.39 6 3 32 2
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
NPC219582 C16H14O6 (2R)-5,7-Dihydroxy-2-(3-Hydroxy-4-Methoxyphenyl)-2,3-Dihydrochromen-4-One 302.08 -1.8662 2.56 0.453 1 3 96.22 6 3 22 0
NPC219738 C27H32O9 500.2046326 -0.0071 3.44 1.721 8 1 124.8 4 6 36 0
NPC219969 C6H6O2 110.0367794 0.093 1.9 1.554 1 0 30.21 2 1 8 0
NPC220451 C19H34 (4Z,6Z,9Z)-nonadeca-4,6,9-triene 262.2660511 -0.2244 3.55 9.864 0 0 0 13 0 19 2
NPC220615 C22H20O6 2-(4-hydroxyphenyl)-3,6-dimethoxy-8,8-dimethylpyrano[2,3-h]chromen-4-one 380.1259884 -0.4998 3.22 3.726 2 1 74.22 3 4 28 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
NPC221164 C15H24 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
NPC221292 C10H17NO6S [3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-N-hydroxybut-3-enimidothioate 279.0776583 -0.8018 1.68 -0.598 5 5 148.04 5 1 18 0
NPC221743 C11H14O2 4-(3-methylbut-2-enoxy)phenol 178.0993797 0.9534 2.45 2.59 0 1 29.46 3 1 13 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
NPC222781 C40H56O (1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol 552.4331164 10.0311 5.75 12.575 1 1 20.23 13 1 41 2
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
NPC223014 C10H20 1-methyl-3-propan-2-ylcyclohexane 140.1565006 0.6858 2.56 5.507 0 0 0 1 1 10 1
NPC223110 C40H58O4 (1S,2R,4S)-1-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,6,6-trimethylcyclohexane-1,2,4-triol 602.4335103 6.9133 5.42 9.175 4 4 80.92 10 2 44 1
NPC223455 C21H44 henicosane 296.3443014 -5.3694 3.77 12.289 0 0 0 18 0 21 2
NPC223480 C20H18O5 338.1154237 -0.6447 3.11 2.285 1 2 68.15 0 5 25 0
NPC224517 C40H56O4 (1R,3S)-6-[(3E,5E,7E,9E,11E,13E,15E)-16-[(2R,6S,7aR)-6-hydroxy-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-2-yl]-3,7,12-trimethylheptadeca-1,3,5,7,9,11,13,15-octaenylidene]-1,5,5-trimethylcyclohexane-1,3-diol 600.4178603 6.9872 5.42 9.065 4 3 69.92 8 3 44 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
NPC225343 C32H42O13 (2'R,5aR,7aR,8R,9S,11aR,11bR)-9-[(S)-furan-3-yl-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5,5,7a,9,11b-pentamethyl-3,7-dioxospiro[6,10,11,11a-tetrahydro-5aH-benzo[g][2]benzoxepine-8,3'-oxirane]-2'-carboxylic acid 634.2625414 -1.6431 3.55 0.762 12 5 205.72 6 6 45 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
NPC226973 C19H18O7 4'-Hydroxy-5,6,7,8-Tetramethoxyflavone 358.11 -1.1711 2.78 1.717 1 1 83.45 10 3 26 0
NPC227058 C17H24O heptadeca-1,9-dien-4,6-diyn-3-ol 244.1827154 1.0335 3.22 6.197 1 1 20.23 8 0 18 1
NPC227325 C19H18O8 5-Hydroxy-2-(4-Hydroxy-3-Methoxyphenyl)-6,7,8-Trimethoxychromen-4-One 374.1 -1.6314 2.67 0.754 1 2 103.68 11 3 27 0
NPC227378 C12H20O2 [(3S)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] acetate 196.1463299 1.3223 2.56 3.474 2 0 26.3 2 2 14 0
NPC227670 C10H16 136.1252005 1.3875 2.56 4.024 0 0 0 2 2 10 0
NPC229196 C36H56O13 3-[(3S,5S,8R,9S,10R,13R,17R)-5,14-dihydroxy-3-[(2S,4R,5S,6S)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one 696.3720919 -2.8342 3.99 1.32 13 6 193.83 7 7 49 2
NPC229851 C28H34O14 5-hydroxy-2-(4-methoxyphenyl)-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one 594.1948558 -4.3997 3 -0.526 10 7 214.06 7 5 42 1
NPC230221 C6H10O hexylidyneoxidanium 98.07316494 -0.9294 2.01 1.982 0 0 0 3 0 7 0
NPC230298 C17H28O2 [(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] acetate 264.2089301 3.951 3.11 5.086 2 0 26.3 9 0 19 1
NPC230301 C29H50O Beta-Sitosterol 414.39 1.3 4.54 11.595 1 1 20.23 13 4 30 1
NPC230540 C10H16O (1R,3S,6S)-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
NPC230782 C10H16O 2-methylidene-5-prop-1-en-2-ylcyclohexan-1-ol 152.1201151 1.4226 2.45 1.744 1 1 20.23 1 1 11 0
NPC230786 C27H32O7 468.2148034 -0.5702 3.66 1.998 6 0 95.34 1 7 34 0
NPC230842 C10H14O 150.1044651 0.8595 2.45 1.815 1 0 17.07 1 1 11 0
NPC231120 C7H16O (3S)-3-methylhexan-1-ol 116.1201151 -0.5844 2.12 2.497 1 1 20.23 4 0 8 0
NPC231420 C10H14O 2-methyl-5-prop-1-en-2-ylcyclopentene-1-carbaldehyde 150.1044651 1.8672 2.45 1.958 1 0 17.07 2 1 11 0
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
NPC232247 C10H16O 2-Methyl-5-Prop-1-En-2-Ylcyclohex-2-En-1-Ol 152.12 1.5693 2.45 1.699 1 1 20.23 4 1 11 0
NPC232375 C10H16 (5S)-2-methyl-5-propan-2-ylcyclohexa-1,3-diene 136.1252005 1.7112 2.56 4.427 0 0 0 1 1 10 0
NPC233169 C28H34O15 7-[(2S,4R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one 610.1897704 -4.86 2.89 -1.489 10 8 234.29 7 5 43 1
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
NPC235528 C19H32 (4Z,6Z,9Z)-nonadeca-1,4,6,9-tetraene 260.250401 0.5266 3.55 9.687 0 0 0 13 0 19 2
NPC235721 C34H53N7O9 (3S,6S,9S,12S,15S,18S)-15-benzyl-9-[(2S)-butan-2-yl]-3,18-bis[(1R)-1-hydroxyethyl]-6-methyl-12-(2-methylpropyl)-1,4,7,10,13,16,19-heptazacyclohenicosane-2,5,8,11,14,17,20-heptone 703.3904763 -1.7955 3.44 3.95 16 9 268.59 8 2 50 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
NPC236705 C10H16 (5S)-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
NPC236726 C28H34O15 (2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one 610.1897704 -4.86 2.89 -1.489 10 8 234.29 7 5 43 1
NPC236959 C19H34O2 methyl (10E,13E)-octadeca-10,13-dienoate 294.2558803 -0.6975 3.33 8.186 2 0 26.3 15 0 21 2
NPC237155 C28H34O9 514.2202827 0.2549 3.55 2.498 8 0 121.64 9 6 37 0
NPC238723 C13H22O (E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-ol 194.1670653 2.1533 2.78 4.271 1 1 20.23 2 1 14 0
NPC239037 C15H26O 1,1,4,7-tetramethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulen-4-ol 222.1983655 1.2587 3 5.078 1 1 20.23 0 3 16 1
NPC239039 C10H16 136.1252005 1.8841 2.56 3.546 0 0 0 4 1 10 0
NPC240504 C12H18O2 2-[(1R)-4-methylcyclohex-3-en-1-yl]prop-2-enyl acetate 194.1306798 1.4308 2.56 2.588 2 0 26.3 4 1 14 0
NPC240896 C18H36N4O10 (2R,3S,4R,5R,6S)-5-amino-6-[(1R,2S,3S,4R,6S)-4,6-diamino-3-[(2R,3R,4S,5R)-3,5-dihydroxy-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-2-(hydroxymethyl)oxane-3,4-diol 468.2431434 -6.5512 1.9 -4.853 14 10 248.39 6 3 32 2
NPC241784 C10H16 136.1252005 1.5162 2.56 4.177 0 0 0 3 1 10 0
NPC2419 C5H10O3 Diethyl Carbonate 118.06 1.1651 1.68 1.258 3 0 35.53 6 0 8 0
NPC242881 C26H30O8 470.1940679 -0.4484 3.44 1.644 7 0 104.57 1 7 34 0
NPC24294 C15H24 (1aR,4R,7R,7bS)-1,1,4,7-tetramethyl-1a,2,3,4,5,6,7,7b-octahydrocyclopropa[e]azulene 204.1878008 2.051 3.11 5.835 0 0 0 0 3 15 1
NPC24327 C11H16O 164.1201151 1.1631 2.56 4.075 0 0 9.23 6 1 12 0
NPC243925 C28H34O9 514.2202827 0.2549 3.55 2.498 8 0 121.64 3 6 37 0
NPC24506 C10H22O 158.1670653 -2.7014 2.45 4.265 1 1 20.23 10 0 11 0
NPC245718 C17H16O7 1-hydroxy-2,3,4,5-tetramethoxyxanthen-9-one 332.0896029 -1.0854 2.56 0.764 1 1 83.45 4 3 24 0
NPC245735 C10H18O (Z)-dec-2-enal 154.1357652 -0.9644 2.45 4.126 1 0 17.07 7 0 11 0
NPC245807 C40H58O5 618.428425 6.1424 5.31 7.121 5 4 90.15 9 3 45 1
NPC245858 C15H24 204.1878008 1.6168 3.11 6.544 0 0 0 1 1 15 1
NPC246125 C15H24 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
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
NPC246469 C27H32O14 580.1792057 -4.8082 2.89 -1.045 10 8 225.06 15 5 41 1
NPC246544 C15H24 (1aR,7R,7aS,7bR)-1,1,4,7-tetramethyl-1a,2,3,5,6,7,7a,7b-octahydrocyclopropa[e]azulene 204.1878008 2.1061 3.11 5.948 0 0 0 0 3 15 1
NPC246622 C15H24O 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
NPC247042 C15H24 (3S,3aS,5R)-3,8-dimethyl-5-prop-1-en-2-yl-1,2,3,3a,4,5,6,7-octahydroazulene 204.1878008 2.3639 3.11 5.496 0 0 0 1 2 15 1
NPC2476 C20H20O8 5-Demethylnobiletin 388.12 -1.2229 2.78 1.273 1 1 92.68 12 3 28 0
NPC247844 C27H34O9 502.2202827 -0.7803 3.44 2.057 9 1 120.89 4 6 36 0
NPC24824 C10H20O Citronellol 156.15 1.4641 2.45 3.286 1 1 20.23 9 0 11 0
NPC248404 C30H40O (2E,4E,6E,8E,10E,12E,14E,16E)-2,6,11,15-tetramethyl-17-(2,6,6-trimethylcyclohexen-1-yl)heptadeca-2,4,6,8,10,12,14,16-octaenal 416.3079159 6.8052 4.65 9.684 1 0 17.07 9 1 31 1
NPC248680 C9H13NO 2-(4-hydroxyphenyl)ethyl-methylazanium 152.1075391 -1.5347 2.23 1.606 0 2 36.84 3 1 11 0
NPC248681 C9H13NO 4-[2-(methylamino)ethyl]phenol 151.099714 -0.5112 2.23 1.494 1 2 32.26 3 1 11 0
NPC249045 C29H50O (3S,8R,9R,10S,13R,14S,17R)-17-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol 414.3861662 1.3 4.54 11.595 1 1 20.23 6 4 30 1
NPC249164 C12H18O2 [(1R,5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] acetate 194.1306798 1.9484 2.56 2.439 2 0 26.3 3 1 14 0
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
NPC249928 C7H16O (3R)-3-methylhexan-1-ol 116.1201151 -0.5844 2.12 2.497 1 1 20.23 4 0 8 0
NPC250828 C27H32O14 7-[(2S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one 580.1792057 -4.8082 2.89 -1.045 10 8 225.06 6 5 41 1
NPC251357 C18H34O octadec-9-enal 266.2609657 -2.2953 3.33 8.606 1 0 17.07 15 0 19 2
NPC251434 C21H24O8 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxy-2,3-dihydrochromen-4-one 404.1471177 -0.7443 2.89 1.122 1 0 81.68 7 3 29 0
NPC251666 C10H16O 152.1201151 1.5693 2.45 1.699 1 1 20.23 4 1 11 0
NPC252074 C40H56O3 (2R,6S,7aR)-2-[(2E,4E,6E,8E,10E,12E,14E,16E)-17-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-6,11,15-trimethylheptadeca-2,4,6,8,10,12,14,16-octaen-2-yl]-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-6-ol 584.4229457 7.7187 5.53 8.51 3 2 49.69 9 3 43 1
NPC252230 C15H24 204.1878008 1.7635 3.11 6.499 0 0 0 1 1 15 1
NPC252821 C14H22O 206.1670653 2.6521 2.89 5.845 0 1 20.23 9 1 15 1
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
NPC25458 C9H8O3 164.0473441 -0.4937 2.12 1.535 3 1 54.37 4 1 12 0
NPC254713 C14H28O 212.2140155 -3.2743 2.89 6.846 1 0 17.07 13 0 15 2
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
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
NPC256989 C20H36O2 ethyl octadeca-9,12-dienoate 308.2715304 -0.4471 3.44 8.609 2 0 26.3 16 0 22 2
NPC257182 C9H8O3 3-Coumaric Acid 164.05 -0.339 2.12 1.886 2 2 57.53 4 1 12 0
NPC257188 C14H12O3 Xanthyletin 228.08 1.1778 2.67 2.932 1 0 35.53 2 3 17 0
NPC257921 C19H32O2 methyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate 292.2402303 0.6967 3.33 7.859 2 0 26.3 14 0 21 2
NPC25810 C26H32O8 472.209718 0.1038 3.44 1.87 7 2 126.57 4 5 34 0
NPC259512 C10H14O Thymol 150.1 0.7546 2.45 3.556 0 1 20.23 5 1 11 0
NPC260501 C17H28O2 (4Z,8Z)-5,9,13-trimethyltetradeca-4,8,12-trienoic acid 264.2089301 4.0712 3.11 5.175 2 1 37.3 9 0 19 1
NPC261831 C18H34O2 Oleic Acid 282.26 -2.3427 3.22 8.192 2 1 37.3 17 0 20 2
NPC261991 C11H22O 170.1670653 -2.4103 2.56 5.139 1 0 17.07 10 0 12 1
NPC262505 C10H20O 156.1514153 -2.1223 2.45 4.57 1 0 17.07 9 0 11 0
NPC263265 C26H30O7 Obacunone 454.2 0.7128 3.55 2.69 6 0 95.34 6 6 33 0
NPC26600 C12H20O2 Neryl Acetate 196.15 2.7188 2.56 3.264 2 0 26.3 10 0 14 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
NPC266371 C17H14O6 5,7-dihydroxy-3,6-dimethoxy-2-phenylchromen-4-one 314.0790382 -1.8679 2.67 2.959 2 2 85.22 3 3 23 0
NPC266740 C43H57NO15 [(1R,2S,5S,7S,8Z,10R,13S)-2,7,9,10,13-pentaacetyloxy-4-(acetyloxymethyl)-8,12,15,15-tetramethyl-5-bicyclo[9.3.1]pentadeca-3,8,11-trienyl] 3-(dimethylamino)-2-hydroxy-3-phenylpropanoate 827.3728201 0.7652 4.43 4.464 16 1 207.57 19 3 59 2
NPC267509 C15H12O5 272.0684735 -0.4215 2.56 2.361 1 2 75.99 5 3 20 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
NPC268869 C23H30O3 (6-hydroxy-6-methylcyclodecyl) 2-naphthalen-2-ylacetate 354.2194948 -1.6292 3.66 7.713 3 1 46.53 4 3 26 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
NPC269212 C14H22O2 222.1619799 2.1918 2.78 4.46 0 2 40.46 10 1 16 0
NPC269586 C9H10 118.0782503 0.9073 2.45 5.478 0 0 0 2 1 9 1
NPC26960 C20H40O Trans-Phytol 296.31 1.7816 3.55 8.949 1 1 20.23 19 0 21 2
NPC269955 C32H42O14 650.257456 -2.8043 3.44 -0.284 13 5 214.95 6 7 46 1
NPC270549 C40H56O2 (1R)-3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[(1R,6S)-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol 568.428031 7.9025 5.64 10.794 2 1 32.76 10 3 42 1
NPC270796 C22H32O2 Doconexent 328.24 2.9327 3.66 8.833 2 1 37.3 16 0 24 2
NPC271270 C27H32O14 580.1792057 -4.8082 2.89 -1.045 10 8 225.06 15 5 41 1
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
NPC271921 C21H36O4 352.2613596 -0.897 3.33 6.478 4 2 66.76 20 0 25 2
NPC273730 C17H24O (9E)-heptadeca-1,9-dien-4,6-diyn-3-ol 244.1827154 1.0335 3.22 6.197 1 1 20.23 8 0 18 1
NPC273756 C26H30O8 470.1940679 -0.4484 3.44 1.644 7 0 104.57 1 7 34 0
NPC274499 C7H13NO2 (2S)-1,1-Dimethylpyrrolidin-1-Ium-2-Carboxylate 143.09 -2.8784 1.9 -0.618 2 0 40.13 4 1 10 0
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
NPC275320 C18H31NO (2R,3R,6R)-6-[(1E,3E,5E)-deca-1,3,5-trienyl]-3-methoxy-1,2-dimethylpiperidine 277.2405646 0.5221 3.22 5.108 2 0 12.47 7 1 20 1
NPC275345 C25H34 [6-cyclopentyl-3-(2-phenylethyl)hexyl]benzene 334.2660511 0.1822 4.21 14.227 0 0 0 10 3 25 1
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
NPC27657 C29H50O 414.3861662 1.3 4.54 11.595 1 1 20.23 6 4 30 1
NPC276792 C20H30O2 icosa-5,8,11,14,17-pentaenoic acid 302.2245802 2.1145 3.44 8.022 2 1 37.3 13 0 22 2
NPC276877 C27H24N8O2S2 1-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-[3-[(5-benzyl-1,3,4-thiadiazol-2-yl)carbamoylamino]-4-methylphenyl]urea 556.146364 1.627 3.11 10.22 10 4 189.28 8 5 39 1
NPC277385 C40H56 (6R)-6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-1,5,5-trimethylcyclohexene 536.4382018 10.9291 5.86 15.113 0 0 0 13 1 40 2
NPC277569 C10H16O (1R,4R)-1-methyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol 152.1201151 1.7929 2.45 2.068 1 1 20.23 1 1 11 0
NPC278023 C40H56O 552.4331164 8.1641 5.75 11.836 1 0 9.23 9 3 41 1
NPC278112 C7H8O phenylmethanol 108.0575149 -0.4487 2.12 2.409 1 1 20.23 1 1 8 0
NPC278594 C10H18O (2S)-5-methyl-2-prop-1-en-2-ylhex-4-en-1-ol 154.1357652 2.0177 2.45 2.198 1 1 20.23 4 0 11 0
NPC278711 C8H18 114.1408506 -1.6254 2.34 4.892 0 0 0 7 0 8 0
NPC279026 C10H20O2 Decanoic Acid 172.15 -2.1697 2.34 4.156 2 1 37.3 10 0 12 0
NPC279633 C17H24O (3S,9E)-heptadeca-1,9-dien-4,6-diyn-3-ol 244.1827154 1.0335 3.22 6.197 1 1 20.23 8 0 18 1
NPC279865 C40H56 1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene 536.4382018 9.6103 5.86 15.187 0 0 0 10 2 40 1
NPC28077 C5H10O 86.07316494 0.9608 1.9 0.547 1 1 20.23 4 0 6 0
NPC28143 C17H36O 2-methylhexadecan-1-ol 256.2766158 -3.4644 3.22 7.976 1 1 20.23 14 0 18 2
NPC282363 C16H15NO6 317.0899372 -1.6328 2.45 -0.231 2 3 99.46 2 3 23 0
NPC283823 C8H8O4 168.0422587 -0.7519 1.9 0.626 2 2 66.76 5 1 12 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
NPC287349 C27H32O14 7-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one 580.1792057 -4.8082 2.89 -1.045 10 8 225.06 6 5 41 1
NPC287660 C10H16 (1R,5R)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane 136.1252005 1.0301 2.56 4.222 0 0 0 1 2 10 0
NPC287731 C15H24 (1aR,4R,7bS)-1,1,4,7-tetramethyl-1a,2,3,4,5,6,7,7b-octahydrocyclopropa[e]azulene 204.1878008 2.051 3.11 5.835 0 0 0 0 3 15 1
NPC28779 C20H36O2 308.2715304 -0.4471 3.44 8.609 2 0 26.3 18 0 22 2
NPC288305 C17H16Br2N2O4 469.9476812 2.4062 2.45 6.378 2 0 72.68 12 2 25 1
NPC288756 C26H32O8 472.209718 -0.1242 3.44 1.758 7 1 115.57 1 6 34 0
NPC288759 C18H15NO3 Des-N-Methylnoracronycine 293.11 -0.2367 3 2.992 2 2 58.56 3 4 22 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
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
NPC289388 C12H22O2 Citronellyl Acetate 198.16 1.8432 2.56 4.026 2 0 26.3 11 0 14 0
NPC289540 C15H26O (1S,4R)-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
NPC289827 C10H18O (2E)-2,7-dimethylocta-2,6-dien-1-ol 154.1357652 2.5329 2.45 2.313 1 1 20.23 4 0 11 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
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
NPC290566 C8H11NO2 4-[(1R)-2-Amino-1-Hydroxyethyl]Phenol 153.08 -1.7093 2.01 0.074 2 3 66.48 5 1 11 0
NPC290613 C29H50O 17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol 414.3861662 1.3 4.54 11.595 1 1 20.23 6 4 30 1
NPC292322 C16H26O2 [(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl] formate 250.1932801 4.0017 3 4.794 2 0 26.3 9 0 18 0
NPC292559 C15H22 1-methyl-4-[(1R)-1,2,2-trimethylcyclopentyl]benzene 202.1721507 1.6652 3.11 8.303 0 0 0 1 2 15 1
NPC294548 C18H30O2 Linolenic Acid 278.22 -0.0979 3.22 7.538 2 1 37.3 15 0 20 2
NPC294902 C9H8O4 Caffeic Acid 180.04 -0.7993 2.01 1.141 2 3 77.76 5 1 13 0
NPC29536 C20H20O7 Pmf 372.12 -0.7626 2.89 2.236 1 0 72.45 11 3 27 0
NPC295476 C10H16O3 6-methyl-3-prop-1-en-2-yl-7,8,9-trioxabicyclo[4.2.1]nonane 184.1099444 1.4098 2.23 2.502 3 0 27.69 1 2 13 0
NPC295904 C19H34O2 methyl octadeca-10,13-dienoate 294.2558803 -0.6975 3.33 8.186 2 0 26.3 15 0 21 2
NPC296020 C28H34O15 7-[(2S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one 610.1897704 -4.86 2.89 -1.489 10 8 234.29 7 5 43 1
NPC296337 C10H16 136.1252005 2.1434 2.56 4.181 0 0 0 3 2 10 0
NPC296473 C16H28 (E)-hexadec-6-en-4-yne 220.2191009 -0.8252 3.22 8.12 0 0 0 9 0 16 1
NPC297054 C10H16O2 168.1150298 -1.0398 2.34 1.168 2 0 34.14 2 1 12 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
NPC297844 C15H24 204.1878008 1.7635 3.11 6.499 0 0 0 1 1 15 1
NPC298280 C19H32O2 methyl (6E,9E,12E)-octadeca-6,9,12-trienoate 292.2402303 0.6967 3.33 7.859 2 0 26.3 14 0 21 2
NPC298621 C19H40 6-methyloctadecane 268.3130013 -2.9968 3.55 11.09 0 0 0 15 0 19 2
NPC29883 C7H6O3 Paraben 138.03 -0.7001 1.9 1.07 2 2 57.53 3 1 10 0
NPC299592 C10H18 2,5,5-trimethylhepta-1,6-diene 138.1408506 2.9004 2.56 4.569 0 0 0 4 0 10 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
NPC300326 C11H12O5 Sinapinate 224.07 -0.4426 2.12 0.787 2 2 75.99 8 1 16 0
NPC300649 C15H24 (1E)-1-methyl-5-methylidene-8-propan-2-ylcyclodeca-1,6-diene 204.1878008 2.7967 3.11 6.294 0 0 0 1 1 15 1
NPC301585 C14H28O2 Myristic Acid 228.21 -3.3217 2.78 6.432 2 1 37.3 14 0 16 2
NPC302103 C18H36N4O10 (2R,3S,4R,5R,6S)-5-amino-6-[(1R,2S,3S,4R,6S)-4,6-diamino-3-[(2R,3R,4S,5S)-3,5-dihydroxy-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-2-(hydroxymethyl)oxane-3,4-diol 468.2431434 -6.5512 1.9 -4.853 14 10 248.39 6 3 32 2
NPC302556 C28H34O15 7-[(3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one 610.1897704 -4.86 2.89 -1.489 10 8 234.29 7 5 43 1
NPC302950 C16H14O6 Hesperetin 302.08 -1.8662 2.56 0.453 1 3 96.22 6 3 22 0
NPC303979 C10H16O 1-methyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol 152.1201151 1.7929 2.45 2.068 1 1 20.23 1 1 11 0
NPC30430 C15H26O (1S,4R,4aR,8aR)-4,7-dimethyl-1-propan-2-yl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-4a-ol 222.1983655 1.3641 3 4.054 1 1 20.23 1 2 16 0
NPC305016 C26H30O8 Limonin 470.19 -0.4484 3.44 1.644 7 0 104.57 5 7 34 0
NPC305759 C40H64 544.500802 10.9734 5.86 14.754 0 0 0 30 0 40 2
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
NPC306993 C49H70O15 898.4714715 -1.72 5.2 5.531 13 8 242.13 9 8 64 3
NPC307011 C15H24 204.1878008 1.7635 3.11 6.499 0 0 0 1 1 15 1
NPC307144 C15H32O4 2-[2-[2-(3,5,5-trimethylhexoxy)ethoxy]ethoxy]ethanol 276.2300595 0.8814 2.67 3.041 4 1 47.92 13 0 19 1
NPC307168 C40H58O3 586.4385957 7.53 5.53 9.919 3 2 52.99 11 3 43 2
NPC30729 C23H38O2 methyl (6E,9E,12E,15E)-docosa-6,9,12,15-tetraenoate 346.2871805 0.9389 3.77 9.808 2 0 26.3 17 0 25 2
NPC307698 C22H42O (Z)-5-methylhenicos-6-en-11-one 322.323566 -2.1472 3.77 9.783 1 0 17.07 17 0 23 2
NPC308108 C10H14O 150.1044651 1.2447 2.45 1.87 1 0 17.07 3 1 11 0
NPC30853 C10H14O 2,6,6-trimethylbicyclo[3.1.1]hept-2-en-4-one 150.1044651 1.2447 2.45 1.87 1 0 17.07 0 1 11 0
NPC3087 C10H17NO6S [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-N-hydroxybut-3-enimidothioate 279.0776583 -0.8018 1.68 -0.598 5 5 148.04 5 1 18 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
NPC30989 C10H18O 3,7-dimethyloct-7-enal 154.1357652 1.1597 2.45 3.636 1 0 17.07 6 0 11 0
NPC310437 C29H42O18 5-[(E)-3-[3,5-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoxy]-3-methyl-5-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoic acid 678.2371145 -4.1453 2.67 -1.67 15 9 280.82 16 3 47 3
NPC311529 C40H58O4 602.4335103 6.7591 5.42 7.865 4 2 62.22 10 4 44 1
NPC311716 C12H22O (E)-dodec-2-enal 182.1670653 -1.5404 2.67 5.264 1 0 17.07 9 0 13 1
NPC311810 C30H52O3 (3R,3aS,4S,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3-(2-hydroxypropan-2-yl)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene-4,9-diol 460.3916455 1.3663 4.43 8.667 3 3 60.69 1 5 33 1
NPC312132 C10H14O Carvacrol 150.1 0.7546 2.45 3.556 0 1 20.23 5 1 11 0
NPC31290 C27H36O10 520.2308474 -1.5468 3.33 1.468 10 3 152.12 6 5 37 0
NPC313059 C34H46O2 (1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E)-16-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]hexadeca-1,3,5,7,9,11,13,15-octaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol 486.3497807 6.2362 4.98 8.302 2 2 40.46 9 2 36 1
NPC313650 C9H12O2 152.08 -1.2077 2.23 1.631 1 2 40.46 5 1 11 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
NPC32021 C26H52O2 hexacosanoic acid 396.3967309 -6.7777 4.1 13.26 2 1 37.3 24 0 28 2
NPC32441 C15H12O5 Naringenin 272.07 -1.8144 2.56 0.897 1 3 86.99 4 3 20 0
NPC32470 C14H10O5 258.0528234 -0.83 2.45 1.842 1 3 86.99 4 3 19 0
NPC32790 C10H14O 2-but-2-ynylcyclohexan-1-one 150.1044651 0.8595 2.45 1.815 1 0 17.07 1 1 11 0
NPC32977 C9H8O3 164.0473441 -0.339 2.12 1.886 2 2 57.53 4 1 12 0
NPC33967 C16H30O2 11-cyclopentylundecanoic acid 254.2245802 -2.6243 3 7.169 2 1 37.3 11 1 18 2
NPC34440 C15H26O 4,7-dimethyl-1-propan-2-yl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-4a-ol 222.1983655 1.3641 3 4.054 1 1 20.23 1 2 16 0
NPC34764 C10H16 1-Methyl-4-Prop-1-En-2-Ylcyclohexene 136.13 2.1424 2.56 3.729 0 0 0 3 1 10 0
NPC35233 C13H18O2 8,8-dimethyl-3a,4,5,6,7,8b-hexahydro-3H-indeno[1,2-b]furan-2-one 206.1306798 0.736 2.67 2.161 2 0 26.3 0 3 15 0
NPC36061 C16H30O2 Palmitoleic Acid 254.22 -1.7667 3 7.054 2 1 37.3 15 0 18 2
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
NPC37051 C12H16O3 ethyl (E)-7-oxo-2-prop-2-ynylhept-3-enoate 208.1099444 1.7688 2.45 1.623 3 0 43.37 8 0 15 0
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
NPC38497 C8H14O 126.1044651 1.5927 2.23 1.796 1 0 17.07 6 0 9 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
NPC38992 C10H16O (3R)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol 152.1201151 0.457 2.45 2.192 1 1 20.23 1 2 11 0
NPC39068 C15H26O 222.1983655 2.2108 3 4.711 1 1 20.23 8 1 16 0
NPC39869 C6H14O 102.1044651 0.0918 2.01 1.928 1 1 20.23 6 0 7 0
NPC40249 C10H16O 152.1201151 0.9693 2.45 2.127 1 0 17.07 3 2 11 0
NPC40818 C20H20O7 Tangeretin 372.12 -0.7626 2.89 2.236 1 0 72.45 11 3 27 0
NPC42471 C9H14O 138.1044651 -0.7112 2.34 3.58 0 0 13.14 5 1 10 0
NPC43114 C15H24 (1Z,6Z)-1-methyl-5-methylidene-8-propan-2-ylcyclodeca-1,6-diene 204.1878008 2.7967 3.11 6.294 0 0 0 1 1 15 1
NPC43587 C27H32O15 596.1741203 -5.2685 2.78 -1.579 10 9 245.29 16 5 42 1
NPC44328 C28H34O15 5-Hydroxy-2-(3-Hydroxy-4-Methoxyphenyl)-7-[3,4,5-Trihydroxy-6-[(3,4,5-Trihydroxy-6-Methyloxan-2-Yl)Oxymethyl]Oxan-2-Yl]Oxy-2,3-Dihydrochromen-4-One 610.19 -4.86 2.89 -1.489 10 8 234.29 17 5 43 1
NPC44363 C18H34O Olealdehyde 266.26 -2.2953 3.33 8.606 1 0 17.07 16 0 19 2
NPC4455 C18H16O8 Sudachitin 360.08 -2.0399 2.56 0.235 1 3 114.68 10 3 26 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
NPC44935 C10H18O (2R)-5-methyl-2-prop-1-en-2-ylhex-4-en-1-ol 154.1357652 2.0177 2.45 2.198 1 1 20.23 4 0 11 0
NPC45727 C10H16 136.1252005 1.7112 2.56 4.427 0 0 0 4 1 10 0
NPC45782 C40H56O2 568.428031 8.4896 5.64 10.564 2 2 40.46 22 2 42 1
NPC46791 C28H34O15 (2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(3-hydroxy-5-methoxyphenyl)-2,3-dihydrochromen-4-one 610.1897704 -4.86 2.89 -1.489 10 8 234.29 7 5 43 1
NPC46801 C40H56O4 (1R,3S)-6-[(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,3S,6S)-3-hydroxy-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenylidene]-1,5,5-trimethylcyclohexane-1,3-diol 600.4178603 6.9483 5.42 10.319 4 3 73.22 9 3 44 1
NPC47000 C23H38O4 (1R,3S,7S)-7-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-(hydroxymethyl)-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthren-3-ol 378.2770097 0.404 3.55 3.74 4 2 58.92 2 4 27 0
NPC47255 C10H12 1-methyl-2-prop-1-en-2-ylbenzene 132.0939004 1.7959 2.56 5.339 0 0 0 1 1 10 1
NPC47781 C18H16O7 Cirsileneol 344.09 -1.5796 2.67 1.198 1 2 94.45 9 3 25 0
NPC47946 C12H20O2 Geranyl Acetate 196.15 2.7188 2.56 3.264 2 0 26.3 10 0 14 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
NPC50701 C40H56O4 (1S,3S,6R)-6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,3S,6R)-3-hydroxy-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol 600.4178603 6.87 5.42 8.964 4 2 65.52 10 4 44 1
NPC50715 C20H20O8 3'-Demethylnobiletin 388.12 -1.2229 2.78 1.273 1 1 92.68 12 3 28 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
NPC52816 C10H16O (3R,6S)-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
NPC53205 C18H34O2 [(Z)-10-methyltetradec-11-enyl] propanoate 282.2558803 -1.3893 3.22 7.522 2 0 26.3 14 0 20 2
NPC53403 C10H16O (1S,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
NPC54066 C16H19NO5 305.1263227 -0.1148 2.56 1.987 3 1 69.92 11 2 22 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
NPC54341 C27H32O15 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one 596.1741203 -5.2685 2.78 -1.579 10 9 245.29 6 5 42 1
NPC54733 C30H50O 426.3861662 3.2976 4.65 11.921 1 1 20.23 4 5 31 1
NPC55063 C17H24O (3R,9Z)-Heptadeca-1,9-Dien-4,6-Diyn-3-Ol 244.18 1.0335 3.22 6.197 1 1 20.23 10 0 18 1
NPC55550 C19H20O4 6-[(E)-1-hydroxy-3-phenylprop-2-enylidene]-2,2,4,4-tetramethylcyclohexane-1,3,5-trione 312.1361591 1.2139 3.11 5.605 4 1 71.44 2 2 23 1
NPC56298 C21H43N5O7 477.3162487 -5.7693 2.45 -2.88 12 11 199.73 17 3 33 2
NPC57605 C10H18O 154.1357652 1.5645 2.45 2.515 1 1 20.23 1 1 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
NPC58601 C26H27N5O6 3-(cyclopropylmethyl)-7-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-6,9-diol 505.1961336 -1.0515 3.11 2.737 3 3 147.02 5 8 37 0
NPC5893 C27H32O15 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one 596.1741203 -5.2685 2.78 -1.579 10 9 245.29 6 5 42 1
NPC58970 C10H14O 150.1044651 1.5954 2.45 1.756 1 0 17.07 3 1 11 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
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
NPC61986 C8H11NO2 4-[(1S)-2-amino-1-hydroxyethyl]phenol 153.0789786 -1.7093 2.01 0.074 2 3 66.48 2 1 11 0
NPC62086 C10H16 136.1252005 1.3695 2.56 4.222 0 0 0 2 1 10 0
NPC63872 C17H26O2 262.1932801 3.3781 3.11 4.695 2 0 26.3 2 1 19 0
NPC64176 C10H16 136.1252005 3.2403 2.56 4.314 0 0 0 6 0 10 0
NPC64347 C15H26O 2-[(1S,5R)-1,8-dimethylspiro[4.5]dec-8-en-4-yl]propan-2-ol 222.1983655 1.7345 3 4.789 1 1 20.23 1 2 16 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
NPC6577 C19H34O2 methyl (2E,5E)-octadeca-2,5-dienoate 294.2558803 -1.6706 3.33 8.591 2 0 26.3 15 0 21 2
NPC65873 C8H10 Ethylbenzene 106.08 0.3069 2.34 4.954 0 0 0 2 1 8 0
NPC65959 C19H18O7 7-hydroxy-5,6,8-trimethoxy-2-(4-methoxyphenyl)chromen-4-one 358.1052529 -1.1711 2.78 1.717 1 1 83.45 5 3 26 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
NPC67591 C15H24 (4S,4aR)-4,4a-dimethyl-6-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene 204.1878008 1.9392 3.11 5.846 0 0 0 1 2 15 1
NPC67920 C10H18O 154.1357652 -0.9644 2.45 4.126 1 0 17.07 8 0 11 0
NPC67986 C12H20O2 [(3R)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] acetate 196.1463299 1.3223 2.56 3.474 2 0 26.3 2 2 14 0
NPC68889 C10H18O Linalool (+) 154.14 2.4692 2.45 2.468 1 1 20.23 8 0 11 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
NPC70206 C28H34O14 (2S)-5-hydroxy-2-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one 594.1948558 -4.3997 3 -0.526 10 7 214.06 7 5 42 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
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
NPC72118 C10H18O2 (3S,6R)-6-ethenyl-2,2,6-trimethyloxan-3-ol 170.1306798 0.759 2.34 1.559 2 1 29.46 1 1 12 0
NPC72141 C27H34O9 502.2202827 -0.7803 3.44 2.057 9 1 120.89 4 6 36 0
NPC72438 C21H24O8 404.1471177 -0.7443 2.89 1.122 1 0 81.68 7 3 29 0
NPC725 C28H34O15 7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one 610.1897704 -4.86 2.89 -1.489 10 8 234.29 7 5 43 1
NPC7491 C15H24O 220.18 1.9144 3 4.607 1 0 12.53 3 3 16 0
NPC75054 C24H34N2O3 2-[2-(azepan-1-yl)-2-oxoethyl]-1-hydroxy-1-phenyl-2,3,6,7,8,9,10,10a-octahydropyrido[1,2-a]azepin-4-one 398.2569429 -4.5709 3.55 3.887 5 1 60.85 4 4 29 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
NPC76145 C10H16 Limonene 136.13 2.1424 2.56 3.729 0 0 0 3 1 10 0
NPC76503 C14H24O4 methyl 3-(2,3,9-trimethyl-1,4-dioxaspiro[4.4]nonan-8-yl)propanoate 256.1674592 -0.1899 2.56 2.32 4 0 44.76 4 2 18 0
NPC77858 C15H10O8 Quercetagetin 318.04 -3.2615 2.23 1.276 2 6 147.68 7 3 23 1
NPC78145 C18H36N4O10 5-amino-6-[4,6-diamino-3-[3,5-dihydroxy-4-(methylamino)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-2-(hydroxymethyl)oxane-3,4-diol 468.2431434 -6.5512 1.9 -4.853 14 10 248.39 6 3 32 2
NPC78551 C10H16 136.1252005 1.3695 2.56 4.222 0 0 0 2 1 10 0
NPC78612 C13H10O5 Pimpinellin 246.05 0.0123 2.34 1.246 1 0 57.9 4 3 18 0
NPC78705 C40H82O2 1,1-didodecoxyhexadecane 594.6314819 -9.7909 5.64 19.986 2 0 18.46 38 0 42 2
NPC79056 C28H34O15 Hesperidin 610.19 -4.86 2.89 -1.489 10 8 234.29 17 5 43 1
NPC79156 C15H20O4 7-hydroxy-6,9a-dimethyl-3-methylidene-3a,4,5,6,6a,7,8,9b-octahydroazuleno[8,7-b]furan-2,9-dione 264.1361591 0.2071 2.67 0.88 4 1 63.6 0 3 19 0
NPC79416 C10H18O (3R)-3,7-dimethyloct-7-enal 154.1357652 1.1597 2.45 3.636 1 0 17.07 6 0 11 0
NPC79640 C23H38O2 methyl docosa-6,9,12,15-tetraenoate 346.2871805 0.9389 3.77 9.808 2 0 26.3 17 0 25 2
NPC7965 C15H22 (1S,4R)-1,6-dimethyl-4-propan-2-yl-1,2,3,4-tetrahydronaphthalene 202.1721507 1.8252 3.11 7.922 0 0 0 1 2 15 1
NPC81010 C9H8O3 Coumaric Acid 164.05 -0.339 2.12 1.886 2 2 57.53 4 1 12 0
NPC81812 C28H48O (3R,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2-methylidene-1,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol 400.3705162 2.8122 4.43 11.429 1 1 20.23 5 4 29 1
NPC8235 C8H10 P-Xylene 106.08 1.284 2.34 4.708 0 0 0 2 1 8 0
NPC83798 C17H24O (3R,9E)-heptadeca-1,9-dien-4,6-diyn-3-ol 244.1827154 1.0335 3.22 6.197 1 1 20.23 8 0 18 1
NPC84807 C8H16O octanal 128.1201151 -1.5463 2.23 3.432 1 0 17.07 6 0 9 0
NPC8488 C7H13NO2 143.0946287 -2.8784 1.9 -0.618 2 0 40.13 4 1 10 0
NPC85233 C21H22O8 Nobiletin 402.13 -0.8144 2.89 1.792 1 0 81.68 13 3 29 0
NPC85813 C18H32O2 Linoleic Acid 280.24 -0.9485 3.22 7.865 2 1 37.3 16 0 20 2
NPC85888 C13H20O2 1b,5,5,6a-tetramethyl-2,3,4,5a-tetrahydro-1aH-indeno[1,2-b]oxiren-6-one 208.1463299 0.5648 2.67 2.582 2 0 29.6 0 3 15 0
NPC86545 C12H24O2 200.17763 -2.3223 2.56 5.005 2 0 26.3 12 0 14 1
NPC86564 C10H16O (5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol 152.1201151 1.5693 2.45 1.699 1 1 20.23 1 1 11 0
NPC87828 C12H20O2 196.1463299 1.3223 2.56 3.474 2 0 26.3 6 2 14 0
NPC88519 C14H17NO9 (2,3,4-triacetyloxy-5-cyano-5-oxopentyl) acetate 343.0903311 -0.8002 1.9 -0.345 10 0 146.06 12 0 24 1
NPC88566 C10H14 134.1095504 1.2149 2.56 5.785 0 0 0 4 1 10 1
NPC89088 C27H32O14 (2S)-7-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one 580.1792057 -4.8082 2.89 -1.045 10 8 225.06 6 5 41 1
NPC89744 C15H32 (6R)-2,6,11-trimethyldodecane 212.250401 1.4376 3.11 8.692 0 0 0 9 0 15 1
NPC90040 C16H12O6 5,7,8-trihydroxy-2-(4-methoxyphenyl)chromen-4-one 300.0633881 -1.9363 2.56 1.552 1 3 96.22 2 3 22 0
NPC91574 C15H24 (1R,8aR)-4,7-dimethyl-1-propan-2-yl-1,2,3,5,6,8a-hexahydronaphthalene 204.1878008 2.2115 3.11 5.46 0 0 0 1 2 15 1
NPC91672 C13H26O 4-(2,2,6-trimethylcyclohexyl)butan-2-ol 198.1983655 0.5515 2.78 5.377 1 1 20.23 3 1 14 1
NPC91931 C10H14O2 (1S,3R,6S)-6-methyl-3-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptan-5-one 166.0993797 0.8245 2.34 0.812 2 0 29.6 1 2 12 0
NPC92085 C15H24 (3R,4aR,8aR)-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
NPC92918 C7H14O hept-6-en-1-ol 114.1044651 -0.3496 2.12 2.192 1 1 20.23 5 0 8 0
NPC93376 C18H16O8 3,5-Dihydroxy-2-(3-Hydroxy-4-Methoxyphenyl)-6,7-Dimethoxychromen-4-One 360.08 -2.036 2.56 1.546 2 3 114.68 10 3 26 0
NPC94448 C15H24O2 (2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) 2,2-dimethylpropanoate 236.17763 3.4947 2.89 3.186 2 0 26.3 4 1 17 0
NPC95031 C10H14O (4R)-4-prop-1-en-2-ylcyclohexene-1-carbaldehyde 150.1044651 1.308 2.45 2.355 1 0 17.07 2 1 11 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
NPC95675 C15H24 204.1878008 1.7635 3.11 6.499 0 0 0 1 1 15 1
NPC95700 C19H36O (3E,13Z)-2-methyloctadeca-3,13-dien-1-ol 280.2766158 -0.8656 3.44 8.078 1 1 20.23 14 0 20 2
NPC95704 C10H16O (1S,5R)-2-methylidene-5-prop-1-en-2-ylcyclohexan-1-ol 152.1201151 1.4226 2.45 1.744 1 1 20.23 1 1 11 0
NPC95969 C15H26O 222.1983655 1.2587 3 5.078 1 1 20.23 5 3 16 1
NPC97285 C28H34O14 594.1948558 -4.3997 3 -0.526 10 7 214.06 16 5 42 1
NPC98049 C15H28O2 2-hydroxycyclopentadecan-1-one 240.2089301 -4.3024 2.89 5.495 2 1 37.3 0 1 17 1
NPC98194 C10H14O 2-ethylidene-6-methylhepta-3,5-dienal 150.1044651 2.5433 2.45 2.741 1 0 17.07 3 0 11 0
NPC98736 C22H40O2 2-heptadec-7-ynoxyoxane 336.3028305 -3.4183 3.66 8.405 2 0 18.46 14 1 24 2
NPC9880 C12H20O2 196.1463299 1.3223 2.56 3.474 2 0 26.3 6 2 14 0
NPC99088 C40H56 Lycopene 536.44 11.5726 5.86 14.586 0 0 0 26 0 40 2

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