| NPC235557 |
(2Alpha,3Beta,17R*,18Beta)-23-O-(Trans-Caffeoyl)-19(18->17)-Abeo-28-Norolean-12-Ene-2,3,18-Triol |
[(1R,2R,3R,4aR,4bR,7S,8R,10aS,10bR,12aR)-2,3,7-trihydroxy-1,1',1',4a,10a,10b-hexamethylspiro[3,4,4b,5,7,9,10,11,12,12a-decahydro-2H-chrysene-8,3'-cyclopentane]-1-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate |
4 |
5 |
| NPC121322 |
ITYNGVSTWVVPIC-NDKCEZKHSA-N |
n.a. |
0 |
0 |
| NPC71703 |
GRWFGVWFFZKLTI-IENPIDJESA-N |
n.a. |
0 |
0 |
| NPC84030 |
Racementhol |
(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexan-1-ol |
1 |
1 |
| NPC38751 |
BOTWFXYSPFMFNR-HKWRFOASSA-N |
n.a. |
0 |
0 |
| NPC290078 |
FUCYIEXQVQJBKY-DZGCQCFKSA-N |
n.a. |
0 |
0 |
| NPC294136 |
PMMLIVYPEUJENN-ZIAGYGMSSA-N |
n.a. |
0 |
0 |
| NPC29081 |
SJVHIOOUDOGGBU-UHFFFAOYSA-N |
n.a. |
0 |
0 |
| NPC236409 |
IAANPVYFEGUURA-LNQUZLCYSA-N |
n.a. |
0 |
0 |
| NPC140196 |
VJKNDCFFOHRDMX-NZBFZMOSSA-N |
n.a. |
0 |
0 |
| NPC109813 |
Beta-Caryophyllene |
(1R,4E,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene |
17 |
51 |
| NPC285494 |
PYWYXDQVIHVOOS-DMQOBPETSA-N |
n.a. |
0 |
0 |
| NPC39633 |
Methyl (9Z,12Z)-Octadeca-9,12-Dienoate |
methyl (9Z,12Z)-octadeca-9,12-dienoate |
5 |
41 |
| NPC19240 |
Tiliroside |
[(2R,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate |
27 |
113 |
| NPC470616 |
Leonurusoleanolide A |
[(1R,2R,3R,4aR,4bS,7S,8R,10aS,10bR,12aR)-3,7-dihydroxy-1-(hydroxymethyl)-1,1',1',4a,10b-pentamethylspiro[2,3,4,4b,5,7,9,10,10a,11,12,12a-dodecahydrochrysene-8,3'-cyclopentane]-2-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate |
5 |
8 |
| NPC158306 |
RUXOGPGQKCWGOH-BGEHYGTQSA-N |
n.a. |
0 |
0 |
| NPC32931 |
KNVLNWLGXNQJNJ-MGXJDOAZSA-N |
n.a. |
0 |
0 |
| NPC96630 |
DTGKSKDOIYIVQL-OFQRNFBNSA-N |
n.a. |
0 |
0 |
| NPC220763 |
NJLNIOKPXKKALD-UHFFFAOYSA-N |
n.a. |
0 |
0 |
| NPC114239 |
1R-(+)-Alpha-Pinene |
(1R,5R)-4,6,6-trimethylbicyclo[3.1.1]hept-3-ene |
12 |
22 |
| NPC44751 |
DSSYKIVIOFKYAU-OMNKOJBGSA-N |
n.a. |
0 |
0 |
| NPC126240 |
KGEKLUUHTZCSIP-WFCWDVHWSA-N |
n.a. |
0 |
0 |
| NPC20791 |
Quercetin |
2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one |
553 |
2064 |
| NPC116742 |
(2Alpha,3Beta,17R*,18Beta)-23-O-(Cis-P-Coumaroyl)-19(18->17)-Abeo-28-Norolean-12-Ene-2,3,18-Triol |
[(1R,2R,3R,4aR,4bR,7S,8R,10aS,10bR,12aR)-2,3,7-trihydroxy-1,1',1',4a,10a,10b-hexamethylspiro[3,4,4b,5,7,9,10,11,12,12a-decahydro-2H-chrysene-8,3'-cyclopentane]-1-yl]methyl (Z)-3-(4-hydroxyphenyl)prop-2-enoate |
4 |
5 |
| NPC234133 |
Genkwanin |
5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one |
34 |
41 |
| NPC483606 |
HGKFGWPPAJKRST-RSKJECSZSA-N |
n.a. |
1 |
1 |
| NPC294955 |
MOSHRBDKOZMXHA-FXAWDEMLSA-N |
n.a. |
1 |
1 |
| NPC211913 |
UIDGLYUNOUKLBM-OPUWVCDQSA-N |
n.a. |
0 |
0 |
| NPC150329 |
WRHGORWNJGOVQY-KKUMJFAQSA-N |
n.a. |
0 |
0 |
| NPC254156 |
QMAYBMKBYCGXDH-UHFFFAOYSA-N |
n.a. |
0 |
0 |
| NPC227419 |
BLJFSPZWKBTYHR-MDZDMXLPSA-N |
n.a. |
0 |
0 |
| NPC25002 |
VBIUKBOBRCNLBZ-CMKODMSKSA-N |
n.a. |
1 |
1 |
| NPC14576 |
FSRZGYRCMPZNJF-MDKBLUTQSA-N |
n.a. |
0 |
0 |
| NPC231738 |
NPNUFJAVOOONJE-IZZDOVSWSA-N |
n.a. |
0 |
0 |
| NPC180684 |
DTGKSKDOIYIVQL-NRPADANISA-N |
n.a. |
0 |
0 |
| NPC176340 |
WTPSYXFTGTUODI-WSTZPKSXSA-N |
n.a. |
1 |
1 |
| NPC162724 |
LRQKKQYUECPRMI-YHUSEBDRSA-N |
n.a. |
0 |
0 |
| NPC3155 |
KGEKLUUHTZCSIP-SCVCMEIPSA-N |
n.a. |
0 |
0 |
| NPC296266 |
WHWDWIHXSPCOKZ-IAGOWNOFSA-N |
n.a. |
0 |
0 |
| NPC182102 |
3,7,11,15-Tetramethylhexadec-2-En-1-Ol |
(E)-3,7,11,15-tetramethylhexadec-2-en-1-ol |
5 |
6 |
| NPC52955 |
DTOSIQBPPRVQHS-IUQGRGSQSA-N |
n.a. |
0 |
0 |
| NPC227670 |
(+)-Camphene |
(1S,4R)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane |
1 |
1 |
| NPC176309 |
Levomenthol |
(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol |
15 |
46 |
| NPC166362 |
Camphene |
3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane |
8 |
37 |
| NPC54264 |
DSSYKIVIOFKYAU-MHPPCMCBSA-N |
n.a. |
1 |
2 |
| NPC236134 |
LEOHDQKUMQKLMP-FECRCKMQSA-N |
n.a. |
0 |
0 |
| NPC49074 |
Syringin |
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]oxane-3,4,5-triol |
15 |
33 |
| NPC483610 |
ZMBSKWIAZCKYAZ-OCSVZBFXSA-N |
n.a. |
1 |
1 |
| NPC141777 |
(-)-Camphene |
(1R,4S)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane |
7 |
9 |
| NPC210937 |
NRPDVSQCYBOWBQ-WHJSOIBDSA-N |
n.a. |
0 |
0 |
| NPC206050 |
GGHMUJBZYLPWFD-UHFFFAOYSA-N |
n.a. |
0 |
0 |
| NPC470619 |
Leonurusoleanolide D |
[(1R,2R,3R,4aR,4bS,7S,8R,10aS,10bR,12aR)-3,7-dihydroxy-1-(hydroxymethyl)-1,1',1',4a,10b-pentamethylspiro[2,3,4,4b,5,7,9,10,10a,11,12,12a-dodecahydrochrysene-8,3'-cyclopentane]-2-yl] (Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate |
5 |
8 |
| NPC273385 |
Tridecane |
tridecane |
4 |
6 |
| NPC214067 |
Bis(2-Methylpropyl) Benzene-1,2-Dicarboxylate |
bis(2-methylpropyl) benzene-1,2-dicarboxylate |
18 |
41 |
| NPC68880 |
VELYAQRXBJLJAK-MJSCJBMMSA-N |
n.a. |
0 |
0 |
| NPC88759 |
RZJRJXONCZWCBN-UHFFFAOYSA-N |
n.a. |
0 |
0 |
| NPC152276 |
PYWYXDQVIHVOOS-PQFIYUSLSA-N |
n.a. |
0 |
0 |
| NPC26960 |
Trans-Phytol |
(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-ol |
19 |
27 |
| NPC184332 |
GJCMFIRSMWNKEA-SGTGQSRGSA-N |
n.a. |
0 |
0 |
| NPC275627 |
Butylated Hydroxyanisole |
2-tert-butyl-4-methoxyphenol |
22 |
78 |
| NPC91574 |
FUCYIEXQVQJBKY-HIFRSBDPSA-N |
n.a. |
0 |
0 |
| NPC173996 |
4,7,7-Trimethylbicyclo[2.2.1]Heptan-3-One |
4,7,7-trimethylbicyclo[2.2.1]heptan-3-one |
5 |
11 |
| NPC5745 |
OOJGVMFNPNJNFV-HXUWFJFHSA-N |
n.a. |
1 |
1 |
| NPC287550 |
(+) Neomenthol |
(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol |
4 |
5 |
| NPC16157 |
NVEQFIOZRFFVFW-SIUPQYRZSA-N |
n.a. |
0 |
0 |
| NPC30782 |
VJKNDCFFOHRDMX-OGPDEAKNSA-N |
n.a. |
0 |
0 |
| NPC167385 |
WTTJVINHCBCLGX-UHFFFAOYSA-N |
n.a. |
0 |
0 |
| NPC283274 |
POULHZVOKOAJMA-MICDWDOJSA-N |
n.a. |
0 |
0 |
| NPC118343 |
Benzyl Benzoate |
benzyl benzoate |
30 |
86 |
| NPC261979 |
SDWMGUVLMJYDMR-PPOCFTBCSA-N |
n.a. |
0 |
0 |
| NPC483601 |
KVWWFFBEMFTTFE-ITNOEGCOSA-N |
n.a. |
1 |
1 |
| NPC281131 |
Hyperoside |
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
58 |
115 |
| NPC145527 |
(2Alpha,3Beta,17R*,18Beta)-23-O-(Cis-Feruloyl)-19(18->17)-Abeo-28-Norolean-12-Ene-2,3,18-Triol |
[(1R,2R,3R,4aR,4bR,7S,8R,10aS,10bR,12aR)-2,3,7-trihydroxy-1,1',1',4a,10a,10b-hexamethylspiro[3,4,4b,5,7,9,10,11,12,12a-decahydro-2H-chrysene-8,3'-cyclopentane]-1-yl]methyl (Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate |
4 |
5 |
| NPC483590 |
FYUQDTIGNZHLSA-TUMAWLQPSA-N |
n.a. |
2 |
10 |
| NPC220368 |
HYQRWBLNVVMQFF-LCLWPZTBSA-N |
n.a. |
1 |
1 |
| NPC32368 |
DVGGLGXQSFURLP-PGMOAVLWSA-N |
n.a. |
0 |
0 |
| NPC243577 |
Leoheterin |
(2R,3R,4R,4aS,8aS)-4-[2-(furan-3-yl)ethyl]-2,4-dihydroxy-3,4a,8,8-tetramethyl-2,3,5,6,7,8a-hexahydronaphthalen-1-one |
2 |
2 |
| NPC33605 |
BLJFSPZWKBTYHR-KTKRTIGZSA-N |
n.a. |
0 |
0 |
| NPC179950 |
Isoquercetin |
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
100 |
265 |
| NPC112746 |
GDSNRTJTRDXNIY-QXFPIHOVSA-N |
n.a. |
0 |
0 |
| NPC20306 |
GGHMUJBZYLPWFD-CUZKYEQNSA-N |
n.a. |
9 |
10 |
| NPC271321 |
YIRAHEODBQONHI-ZQNQSHIBSA-N |
n.a. |
0 |
0 |
| NPC232031 |
UIDUJXXQMGYOIN-UHFFFAOYSA-N |
n.a. |
0 |
0 |
| NPC139243 |
(2Alpha,3Beta,17R*,18Beta)-23-O-(Trans-P-Coumaroyl)-19(18->17)-Abeo-28-Norolean-12-Ene-2,3,18-Triol |
[(1R,2R,3R,4aR,4bR,7S,8R,10aS,10bR,12aR)-2,3,7-trihydroxy-1,1',1',4a,10a,10b-hexamethylspiro[3,4,4b,5,7,9,10,11,12,12a-decahydro-2H-chrysene-8,3'-cyclopentane]-1-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate |
4 |
5 |
| NPC178223 |
(3S,4S)-4,7,7-Trimethylbicyclo[2.2.1]Heptan-3-Ol |
(3S,4S)-4,7,7-trimethylbicyclo[2.2.1]heptan-3-ol |
1 |
1 |
| NPC308218 |
DTGKSKDOIYIVQL-ZCUBBSJVSA-N |
n.a. |
0 |
0 |
| NPC13991 |
Alpha-Pinene |
4,6,6-trimethylbicyclo[3.1.1]hept-3-ene |
16 |
59 |
| NPC197584 |
YAYNNRVFBBEPHH-OVNIWKDCSA-N |
n.a. |
0 |
0 |
| NPC223388 |
CHWHQKGWMYXOKD-RSRVBPOASA-N |
n.a. |
0 |
0 |
| NPC249815 |
ITYNGVSTWVVPIC-UHFFFAOYSA-N |
n.a. |
0 |
0 |
| NPC470618 |
Leonurusoleanolide C |
[(1R,2R,3R,4aR,4bS,7S,8R,10aS,10bR,12aR)-3,7-dihydroxy-1-(hydroxymethyl)-1,1',1',4a,10b-pentamethylspiro[2,3,4,4b,5,7,9,10,10a,11,12,12a-dodecahydrochrysene-8,3'-cyclopentane]-2-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate |
5 |
8 |
| NPC306990 |
BOTWFXYSPFMFNR-QYLFUYDXSA-N |
n.a. |
0 |
0 |
| NPC71506 |
(-)-Terpinen-4-Ol |
(1R)-4-methyl-1-propan-2-ylcyclohex-3-en-1-ol |
1 |
5 |
| NPC483599 |
HTLITAHPLMAEHW-QVKFZJNVSA-N |
n.a. |
1 |
1 |
| NPC107015 |
CNPVJWYWYZMPDS-UHFFFAOYSA-N |
n.a. |
0 |
0 |
| NPC221855 |
GJCMFIRSMWNKEA-LBXNTXCASA-N |
n.a. |
0 |
0 |
| NPC14682 |
DTGKSKDOIYIVQL-HKJUDDBKSA-N |
n.a. |
0 |
0 |
| NPC161097 |
Hexadecanoic Acid Methyl Ester |
methyl hexadecanoate |
8 |
10 |
| NPC33320 |
Methoxsalen |
9-methoxyfuro[3,2-g]chromen-7-one |
136 |
406 |
| NPC300649 |
GAIBLDCXCZKKJE-NWYXHMAXSA-N |
n.a. |
0 |
0 |
| NPC75158 |
DTGKSKDOIYIVQL-HHCGNCNQSA-N |
n.a. |
0 |
0 |
| NPC166894 |
(1S,3R,4S)-4,7,7-Trimethylbicyclo[2.2.1]Heptan-3-Ol |
(1S,3R,4S)-4,7,7-trimethylbicyclo[2.2.1]heptan-3-ol |
5 |
13 |
| NPC470620 |
Phlomistetraol B |
(1S,2R,4aS,4bR,6aR,7R,8R,9R,10aR,10bS)-7-(hydroxymethyl)-1',1',4b,7,10a-pentamethylspiro[1,3,4,4a,5,6,6a,8,9,10,10b,11-dodecahydrochrysene-2,3'-cyclopentane]-1,8,9-triol |
5 |
7 |
| NPC177112 |
Terpineol |
4-methyl-1-propan-2-ylcyclohex-3-en-1-ol |
25 |
75 |
| NPC209275 |
NPNUFJAVOOONJE-BLOBHPOZSA-N |
n.a. |
0 |
0 |
| NPC297418 |
WAKCWJNDXBPEBP-UHFFFAOYSA-N |
n.a. |
0 |
0 |
| NPC331613 |
UREBDLICKHMUKA-CXSFZGCWSA-N |
n.a. |
86 |
708 |
| NPC483613 |
REEYGHJYEKCPKG-HNPWUYFLSA-N |
n.a. |
1 |
1 |
| NPC14002 |
Alpha-Ionone |
(E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one |
8 |
14 |
| NPC483612 |
PKFHRJAPZCRPRB-GUOVVMSNSA-N |
n.a. |
1 |
1 |
| NPC178887 |
FLOXQRMTDDOZKF-WPZURJSLSA-N |
n.a. |
0 |
0 |
| NPC179524 |
SQSRYWNOKPJENY-UHFFFAOYSA-N |
n.a. |
0 |
0 |
| NPC23145 |
(-)-Aromadendrene Ii |
(1aR,4aR,7R,7aR,7bS)-1,1,7-trimethyl-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene |
6 |
6 |
| NPC70744 |
Ferulic Acid |
(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid |
146 |
590 |
| NPC243509 |
Pentosalen |
9-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one |
45 |
113 |
| NPC120926 |
Germacrene D |
(1E,6E,8S)-1-methyl-5-methylidene-8-propan-2-ylcyclodeca-1,6-diene |
2 |
7 |
| NPC13789 |
(-)-Caryophyllene Oxide |
n.a. |
7 |
11 |
| NPC218109 |
ZMDOPLQSOGZPJN-UHFFFAOYSA-N |
n.a. |
0 |
0 |
| NPC307963 |
Melatonin |
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide |
136 |
838 |
| NPC119381 |
WTTJVINHCBCLGX-QEFCTBRHSA-N |
n.a. |
0 |
0 |
| NPC237084 |
MFAYXOLUJJXHCN-IZHFEEFNSA-N |
n.a. |
1 |
1 |
| NPC64370 |
Tetradecane |
tetradecane |
3 |
4 |
| NPC184049 |
Spathulenol |
(1aR,4aR,7S,7aR,7bR)-1,1,7-trimethyl-4-methylidene-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulen-7-ol |
14 |
24 |
| NPC483609 |
IKZDDTHLOKTDJQ-YOYNUQPSSA-N |
n.a. |
1 |
1 |
| NPC260562 |
ISIURBJSGZUMTB-XOCLEIHFSA-N |
n.a. |
1 |
1 |
| NPC239406 |
Heptadecane |
heptadecane |
1 |
4 |
| NPC287928 |
DVSXEQQNZWZVJD-UHFFFAOYSA-N |
n.a. |
0 |
0 |
| NPC204100 |
PSQITMLVTRISAW-DIINDGIOSA-N |
n.a. |
0 |
0 |
| NPC138347 |
FRMCCTDTYSRUBE-UHFFFAOYSA-N |
n.a. |
0 |
0 |
| NPC132414 |
FFVKXGZKJBHJMS-UHFFFAOYSA-N |
n.a. |
0 |
0 |
| NPC34581 |
Citroside B |
4-[(4S,6R)-4-hydroxy-2,2,6-trimethyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexylidene]but-3-en-2-one |
8 |
8 |
| NPC95675 |
VLXDPFLIRFYIME-UHFFFAOYSA-N |
n.a. |
0 |
0 |
| NPC59733 |
NMSOMIPQZUTEGY-LYNLNPNLSA-N |
n.a. |
1 |
1 |
| NPC186996 |
WTXBCFKGCNWPLS-UHFFFAOYSA-N |
n.a. |
0 |
0 |
| NPC7491 |
NVEQFIOZRFFVFW-SFDCQRBFSA-N |
n.a. |
2 |
2 |
| NPC117493 |
BOTWFXYSPFMFNR-RTBURBONSA-N |
n.a. |
0 |
0 |
| NPC7314 |
YIRAHEODBQONHI-UHFFFAOYSA-N |
n.a. |
0 |
0 |
| NPC187061 |
PELLUIPPBKHUAB-GRYCIOLGSA-N |
n.a. |
6 |
6 |
| NPC302327 |
Dodecane |
dodecane |
6 |
10 |
| NPC232841 |
UEHATVMLPFUSJH-GSWHXBPJSA-N |
n.a. |
1 |
1 |
| NPC88789 |
Quercetin-3-Ogalactopyranoside |
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
1 |
1 |
| NPC254053 |
Leonurine |
4-(diaminomethylideneamino)butyl 4-hydroxy-3,5-dimethoxybenzoate |
3 |
13 |
| NPC147343 |
(+)-Menthol |
(1S,2R)-5-methyl-2-propan-2-ylcyclohexan-1-ol |
3 |
7 |
| NPC315672 |
UQZIYBXSHAGNOE-UHFFFAOYSA-N |
n.a. |
0 |
0 |
| NPC165704 |
OROJBMPJDLLRFD-IPNZSQQUSA-N |
n.a. |
0 |
0 |
| NPC284731 |
DTGKSKDOIYIVQL-SHTILUHOSA-N |
n.a. |
1 |
1 |
| NPC101285 |
NVEQFIOZRFFVFW-GUIRCDHDSA-N |
n.a. |
18 |
27 |
| NPC244369 |
WHOZNOZYMBRCBL-UHFFFAOYSA-N |
n.a. |
0 |
0 |
| NPC483593 |
CMKGSOKVUXAPSZ-VUQFPLBCSA-N |
n.a. |
1 |
1 |
| NPC227378 |
KGEKLUUHTZCSIP-YZRBJQDESA-N |
n.a. |
0 |
0 |
| NPC89069 |
(-)-Borneol |
4,7,7-trimethylbicyclo[2.2.1]heptan-3-ol |
6 |
6 |
| NPC483591 |
ZYGCNVZJOXIOKZ-HXUWFJFHSA-N |
n.a. |
1 |
1 |
| NPC36408 |
OPFTUNCRGUEPRZ-ZNMIVQPWSA-N |
n.a. |
0 |
0 |
| NPC154477 |
Hexadecane |
hexadecane |
6 |
11 |
| NPC483598 |
YYZBSPJTVYMZJR-NSAZKJPHSA-N |
n.a. |
1 |
1 |
| NPC263098 |
FULLTSYFDLSFSF-UHFFFAOYSA-N |
n.a. |
1 |
2 |
| NPC310099 |
OAYBZGPDRAMDNF-UHFFFAOYSA-N |
n.a. |
0 |
0 |
| NPC41144 |
CCLPTDRLVDMCRP-UHFFFAOYSA-N |
n.a. |
0 |
0 |
| NPC245768 |
4-(Diaminomethylideneamino)Butanoic Acid |
4-(diaminomethylideneamino)butanoic acid |
60 |
60 |
| NPC214292 |
MFAYXOLUJJXHCN-YEJLTRTHSA-N |
n.a. |
49 |
49 |
| NPC196490 |
DTGKSKDOIYIVQL-CCNFQMFXSA-N |
n.a. |
0 |
0 |
| NPC283655 |
Borneol |
(1R,3S,4R)-4,7,7-trimethylbicyclo[2.2.1]heptan-3-ol |
32 |
77 |
| NPC43270 |
WURVHQYPIFSXKQ-RPUPUWCGSA-N |
n.a. |
1 |
1 |
| NPC214909 |
GAIBLDCXCZKKJE-OYXBEGFWSA-N |
n.a. |
0 |
0 |
| NPC284174 |
BYLJEQIUXOYKOB-BQYQJAHWSA-N |
n.a. |
0 |
0 |
| NPC127122 |
LQERIDTXQFOHKA-UHFFFAOYSA-N |
n.a. |
0 |
0 |
| NPC218918 |
(+)-Germacrene D |
(1E,6E,8R)-1-methyl-5-methylidene-8-propan-2-ylcyclodeca-1,6-diene |
2 |
2 |
| NPC109688 |
PYWYXDQVIHVOOS-YXJJOUJBSA-N |
n.a. |
0 |
0 |
| NPC102330 |
GJCMFIRSMWNKEA-WQENPGRGSA-N |
n.a. |
0 |
0 |
| NPC483603 |
XNTZCKXWOGVASS-KKIXBDIFSA-N |
n.a. |
1 |
1 |
| NPC197316 |
Acetoside |
[(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate |
51 |
158 |
| NPC483600 |
HTLITAHPLMAEHW-YCRPNKLZSA-N |
n.a. |
1 |
1 |
| NPC23297 |
QWRTXOOFEHOROQ-UHFFFAOYSA-N |
n.a. |
0 |
0 |
| NPC102503 |
CYUVJOWXJUNPHY-ISLYRVAYSA-N |
n.a. |
0 |
0 |
| NPC66577 |
Alpha-Humulone |
(1E,4E,8E)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene |
15 |
20 |
| NPC4505 |
STNANKNBZWRXAJ-BPVGNJIUSA-N |
n.a. |
0 |
0 |
| NPC45270 |
Menthone |
(2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-one |
4 |
20 |
| NPC264632 |
Lavandulifolioside |
[(2R,3R,4R,5R,6R)-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate |
1 |
1 |
| NPC46896 |
(3S,4R,4As,8As)-4-[2-(Furan-3-Yl)Ethyl]-4-Hydroxy-3,4A,8,8-Tetramethyl-1,3,5,6,7,8A-Hexahydronaphthalen-2-One |
(3S,4R,4aS,8aS)-4-[2-(furan-3-yl)ethyl]-4-hydroxy-3,4a,8,8-tetramethyl-1,3,5,6,7,8a-hexahydronaphthalen-2-one |
69 |
71 |
| NPC40249 |
(-)-Camphor |
(1S,4S)-4,7,7-trimethylbicyclo[2.2.1]heptan-3-one |
6 |
234 |
| NPC131981 |
Camphor |
(1R,4R)-4,7,7-trimethylbicyclo[2.2.1]heptan-3-one |
41 |
136 |
| NPC223468 |
Menthol |
5-methyl-2-propan-2-ylcyclohexan-1-ol |
30 |
108 |
| NPC26045 |
(2Alpha,3Beta,17R*,18Beta)-3-O-(Trans-Caffeoyl)-19(18->17)-Abeo-28-Norolean-12-Ene-2,18,23-Triol |
[(1R,2R,3R,4aR,4bR,7S,8R,10aS,10bR,12aR)-3,7-dihydroxy-1-(hydroxymethyl)-1,1',1',4a,10a,10b-hexamethylspiro[3,4,4b,5,7,9,10,11,12,12a-decahydro-2H-chrysene-8,3'-cyclopentane]-2-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate |
4 |
5 |
| NPC184831 |
CSKINCSXMLCMAR-UHFFFAOYSA-N |
n.a. |
0 |
0 |
| NPC483592 |
NIFOMTGWWSHXPP-DIKVZGKSSA-N |
n.a. |
1 |
1 |
| NPC483596 |
UYEGQRIXYLIQFR-GHEHZWTJSA-N |
n.a. |
1 |
1 |
| NPC74539 |
Bergapten |
4-methoxyfuro[3,2-g]chromen-7-one |
111 |
201 |
| NPC226997 |
NERNKRPBSOBEHC-ATPOGHATSA-N |
n.a. |
1 |
1 |
| NPC282537 |
LRQKKQYUECPRMI-AUDZOWGFSA-N |
n.a. |
0 |
0 |
| NPC189036 |
DTGKSKDOIYIVQL-NQMVMOMDSA-N |
n.a. |
0 |
0 |
| NPC55147 |
7-Methoxy-8-(3-Methyl-2-Oxobutyl)Chromen-2-One |
7-methoxy-8-(3-methyl-2-oxobutyl)chromen-2-one |
3 |
4 |
| NPC262524 |
GJCMFIRSMWNKEA-MSEZIRAUSA-N |
n.a. |
0 |
0 |
| NPC287335 |
ITYNGVSTWVVPIC-XBIUQDLISA-N |
n.a. |
0 |
0 |
| NPC245718 |
ZHOIDKZROFMQSS-UHFFFAOYSA-N |
n.a. |
0 |
0 |
| NPC274499 |
(2S)-1,1-Dimethylpyrrolidin-1-Ium-2-Carboxylate |
(2S)-1,1-dimethylpyrrolidin-1-ium-2-carboxylate |
5 |
6 |
| NPC67986 |
KGEKLUUHTZCSIP-SQLBVSGCSA-N |
n.a. |
0 |
0 |
| NPC43114 |
GAIBLDCXCZKKJE-BZXLUOIMSA-N |
n.a. |
0 |
0 |
| NPC325866 |
NOQYJICHFNSIFZ-UHFFFAOYSA-N |
n.a. |
0 |
0 |
| NPC59570 |
5-Methyl-2-Propan-2-Ylcyclohexan-1-One |
5-methyl-2-propan-2-ylcyclohexan-1-one |
2 |
3 |
| NPC170070 |
XDSYKASBVOZOAG-QGZVKYPTSA-N |
n.a. |
0 |
0 |
| NPC126675 |
DGCSFZBBNZMTAQ-AZUAARDMSA-N |
n.a. |
3 |
6 |
| NPC6450 |
CVAJBQDXBZONMK-LOOWFBELSA-N |
n.a. |
0 |
0 |
| NPC96286 |
Osthole |
7-methoxy-8-(3-methylbut-2-enyl)chromen-2-one |
49 |
102 |
| NPC483594 |
QMCWSTVGXAEEFE-HNDLWFRISA-N |
n.a. |
1 |
1 |
| NPC143639 |
FRMCCTDTYSRUBE-VOSWHAFNSA-N |
n.a. |
0 |
0 |
| NPC79214 |
NRPDVSQCYBOWBQ-OEOYNPKASA-N |
n.a. |
0 |
0 |
| NPC287374 |
ROXAOLHSWRGMCR-AKZLODSSSA-N |
n.a. |
1 |
1 |
| NPC87828 |
[(1S,3R,4S)-4,7,7-Trimethyl-3-Bicyclo[2.2.1]Heptanyl] Acetate |
[(1S,3R,4S)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] acetate |
1 |
2 |
| NPC316232 |
DTOSIQBPPRVQHS-IUQGRGSQSA-M |
n.a. |
0 |
0 |
| NPC483607 |
AQHGVDZGVWSKBZ-BJFWILHESA-N |
n.a. |
1 |
1 |
| NPC483588 |
SMUMIMBRXWNMIR-OITMNORJSA-N |
n.a. |
1 |
1 |
| NPC483611 |
LJWWLZLACORTEW-YXYSEUPNSA-N |
n.a. |
1 |
1 |
| NPC183864 |
IISMOXLSZASLDD-UHFFFAOYSA-N |
n.a. |
0 |
0 |
| NPC240899 |
XCPQUQHBVVXMRQ-UHFFFAOYSA-N |
n.a. |
0 |
0 |
| NPC135088 |
OVSQVDMCBVZWGM-CAWYGJOUSA-N |
n.a. |
0 |
0 |
| NPC89422 |
Pentadecane |
pentadecane |
3 |
4 |
| NPC100445 |
1-Methyl-4-Prop-1-En-2-Ylcyclohexan-1-Ol |
1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol |
1 |
1 |
| NPC20742 |
BOTWFXYSPFMFNR-UHFFFAOYSA-N |
n.a. |
0 |
0 |
| NPC74492 |
QZDLNSHJLNXZEJ-UHFFFAOYSA-N |
n.a. |
0 |
0 |
| NPC106250 |
NVEQFIOZRFFVFW-UHFFFAOYSA-N |
n.a. |
0 |
0 |
| NPC483608 |
HHWUQHDMJSKVOC-SQBLYHGDSA-N |
n.a. |
1 |
1 |
| NPC287406 |
VJKNDCFFOHRDMX-FDQJKECFSA-N |
n.a. |
0 |
0 |
| NPC308749 |
HOWGUJZVBDQJKV-UHFFFAOYSA-N |
n.a. |
0 |
0 |
| NPC176740 |
Rutin |
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(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]oxychromen-4-one |
103 |
333 |
| NPC207306 |
UDHCHDJLZGYDDM-LVDCRSFESA-N |
n.a. |
0 |
0 |
| NPC470617 |
Leonurusoleanolide B |
[(1R,2R,3R,4aR,4bS,7S,8R,10aS,10bR,12aR)-3,7-dihydroxy-1-(hydroxymethyl)-1,1',1',4a,10b-pentamethylspiro[2,3,4,4b,5,7,9,10,10a,11,12,12a-dodecahydrochrysene-8,3'-cyclopentane]-2-yl] (Z)-3-(4-hydroxyphenyl)prop-2-enoate |
5 |
8 |
| NPC106537 |
OQLCWZJEAYGVQE-UHFFFAOYSA-N |
n.a. |
0 |
0 |
| NPC234536 |
Isopimpinellin |
4,9-dimethoxyfuro[3,2-g]chromen-7-one |
90 |
118 |
| NPC286219 |
PYWYXDQVIHVOOS-VLIPQZQPSA-N |
n.a. |
0 |
0 |
| NPC99480 |
Ent-Spathulenol |
(1aS,4aS,7R,7aS,7bS)-1,1,7-trimethyl-4-methylidene-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulen-7-ol |
11 |
12 |
| NPC58478 |
WTTJVINHCBCLGX-ZDVGBALWSA-N |
n.a. |
0 |
0 |
| NPC84226 |
CMUNUTVVOOHQPW-LURJTMIESA-O |
n.a. |
0 |
0 |
| NPC483589 |
PWKHXADWVTXNDA-PHXBYCTMSA-N |
n.a. |
2 |
10 |
| NPC8488 |
1,1-Dimethylpyrrolidin-1-Ium-2-Carboxylate |
1,1-dimethylpyrrolidin-1-ium-2-carboxylate |
56 |
56 |
| NPC60556 |
Caryophyllene |
(1R,4Z,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene |
18 |
19 |
| NPC242991 |
YNJGXQUTVLYUEZ-QUJJFIQJSA-N |
n.a. |
0 |
0 |
| NPC483602 |
PYXIJIPKTNTCEK-COSJYDARSA-N |
n.a. |
1 |
1 |
| NPC135077 |
Rel-Menthone |
(2R,5S)-5-methyl-2-propan-2-ylcyclohexan-1-one |
4 |
35 |
| NPC208785 |
(2Alpha,3Beta,17R*,18Beta)-23-O-(Trans-Feruloyl)-19(18->17)-Abeo-28-Norolean-12-Ene-2,3,18-Triol |
[(1R,2R,3R,4aR,4bR,7S,8R,10aS,10bR,12aR)-2,3,7-trihydroxy-1,1',1',4a,10a,10b-hexamethylspiro[3,4,4b,5,7,9,10,11,12,12a-decahydro-2H-chrysene-8,3'-cyclopentane]-1-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate |
4 |
5 |
| NPC134121 |
UUBHXYINEPOWQI-XHWTUMPSSA-N |
n.a. |
0 |
0 |
| NPC52230 |
FRMCCTDTYSRUBE-YZXOMZRCSA-N |
n.a. |
0 |
0 |
| NPC75840 |
SDWMGUVLMJYDMR-FRHKILPWSA-N |
n.a. |
0 |
0 |
| NPC50898 |
Apigenin |
5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one |
399 |
1052 |
| NPC124876 |
FSRZGYRCMPZNJF-UHFFFAOYSA-N |
n.a. |
0 |
0 |
| NPC483605 |
GOWWGHVTLFYJME-DOEMEAPXSA-N |
n.a. |
1 |
1 |
| NPC238960 |
LKNRSUKTEIJIAS-UHFFFAOYSA-N |
n.a. |
0 |
0 |
| NPC220860 |
QMAYBMKBYCGXDH-QLFBSQMISA-N |
n.a. |
0 |
0 |
| NPC483595 |
KGDDPKLHPRMIEF-FBJNTSCYSA-N |
n.a. |
1 |
1 |
| NPC169835 |
MIPXRVRWIMVNPA-UHFFFAOYSA-N |
n.a. |
0 |
0 |
| NPC201562 |
Blumenol A |
(4S)-4-hydroxy-4-[(E,3R)-3-hydroxybut-1-enyl]-3,5,5-trimethylcyclohex-2-en-1-one |
14 |
18 |
| NPC9880 |
(4,7,7-Trimethyl-3-Bicyclo[2.2.1]Heptanyl) Acetate |
(4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl) acetate |
4 |
5 |
| NPC51189 |
GAIBLDCXCZKKJE-YZJXYJLZSA-N |
n.a. |
0 |
0 |
| NPC266539 |
Dodec-1-Ene |
dodec-1-ene |
4 |
11 |
| NPC88820 |
MYPGRLGQLDFZMK-UHFFFAOYSA-N |
n.a. |
0 |
0 |
| NPC54407 |
KPOGKOXAZMFZNM-ATPOGHATSA-N |
n.a. |
1 |
1 |
| NPC290189 |
GAIBLDCXCZKKJE-XMUOOQAISA-N |
n.a. |
0 |
0 |
| NPC249018 |
(4As,10As)-1,1,4A-Trimethyl-7-Propan-2-Yl-2,3,4,9,10,10A-Hexahydrophenanthrene |
(4aS,10aS)-1,1,4a-trimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene |
1 |
1 |
| NPC43696 |
LNTHITQWFMADLM-UHFFFAOYSA-M |
n.a. |
0 |
0 |
| NPC135257 |
QJVXKWHHAMZTBY-ONEGZZNKSA-N |
n.a. |
0 |
0 |
| NPC483597 |
PYSBNCLKMCAVGP-JLTOFOAXSA-N |
n.a. |
1 |
1 |
| NPC483604 |
HEEZWWARJQDUFD-AKZLODSSSA-N |
n.a. |
1 |
1 |
| NPC153170 |
YNJGXQUTVLYUEZ-AKZSVLAMSA-N |
n.a. |
0 |
0 |
Organism Name: Leonurus heterophyllus