NPC246693 |
Shikonin |
5,8-dihydroxy-2-[(1R)-1-hydroxy-4-methylpent-3-enyl]naphthalene-1,4-dione |
740 |
909 |
NPC68752 |
WNFXUXZJJKTDOZ-UHFFFAOYSA-N |
n.a. |
2 |
8 |
NPC18074 |
(-)-Rosmarinic Acid |
(2S)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypropanoic acid |
1 |
1 |
NPC96835 |
Phenanthrene |
phenanthrene |
28 |
59 |
NPC293894 |
HCRBXQFHJMCTLF-UHFFFAOYSA-N |
n.a. |
0 |
0 |
NPC108218 |
Phenylethyl Alcohol |
2-phenylethanol |
14 |
32 |
NPC172918 |
BVRYLTBIGIAADD-UHFFFAOYSA-N |
n.a. |
0 |
0 |
NPC279026 |
Decanoic Acid |
decanoic acid |
25 |
106 |
NPC309606 |
Methyl Oleate |
methyl (Z)-octadec-9-enoate |
5 |
31 |
NPC185189 |
HPEUJPJOZXNMSJ-UHFFFAOYSA-N |
n.a. |
0 |
0 |
NPC257003 |
Beta-Hydroxyisovalerylshikonin |
[(1R)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 3-hydroxy-3-methylbutanoate |
15 |
25 |
NPC163748 |
PTDBSDVVEJXDNB-UHFFFAOYSA-N |
n.a. |
0 |
0 |
NPC47489 |
UJZQBMQZMKFSRV-WDMOTZMRSA-N |
n.a. |
0 |
0 |
NPC29649 |
BATBOVZTQBLKIL-UHFFFAOYSA-N |
n.a. |
0 |
0 |
NPC230726 |
Isobutyric Acid |
2-methylpropanoic acid |
4 |
11 |
NPC173078 |
WJBAXOQGAMJFTL-FQGZMJKXSA-N |
n.a. |
0 |
0 |
NPC189325 |
OHRCEQTZXISPOL-UHFFFAOYSA-N |
n.a. |
0 |
0 |
NPC106250 |
NVEQFIOZRFFVFW-UHFFFAOYSA-N |
n.a. |
0 |
0 |
NPC284731 |
DTGKSKDOIYIVQL-SHTILUHOSA-N |
n.a. |
1 |
1 |
NPC225582 |
FCQGZOYPTSMOOM-OGOZRWHJSA-N |
n.a. |
0 |
0 |
NPC217226 |
Furfural |
furan-2-carbaldehyde |
14 |
35 |
NPC59581 |
Hexanal |
hexanal |
25 |
54 |
NPC156455 |
AFCSUOXCXZGHKG-VOVKCACBSA-N |
n.a. |
0 |
0 |
NPC104195 |
3-Methylbutanoic Acid |
3-methylbutanoic acid |
5 |
11 |
NPC207324 |
IZFGRAGOVZCUFB-HJWRWDBZSA-N |
n.a. |
0 |
0 |
NPC169222 |
Cinnamic Aldehyde |
(Z)-3-phenylprop-2-enal |
1 |
2 |
NPC14682 |
DTGKSKDOIYIVQL-HKJUDDBKSA-N |
n.a. |
0 |
0 |
NPC247961 |
NLNIGBKVUAAEMC-JAXDHQAFSA-N |
n.a. |
0 |
0 |
NPC54980 |
Methyl Decanoate |
methyl decanoate |
3 |
7 |
NPC242358 |
5,8-Dihydroxy-2-(1-Hydroxy-4-Methylpent-3-Enyl)Naphthalene-1,4-Dione |
5,8-dihydroxy-2-(1-hydroxy-4-methylpent-3-enyl)naphthalene-1,4-dione |
59 |
59 |
NPC150031 |
NUKZAGXMHTUAFE-UHFFFAOYSA-N |
n.a. |
0 |
0 |
NPC216312 |
Acetylalkannin |
[(1S)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] acetate |
20 |
36 |
NPC139545 |
Methyl Linolenate |
methyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate |
57 |
59 |
NPC299405 |
Acetylshikonin |
[(1R)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] acetate |
23 |
49 |
NPC241349 |
Isobutylshikonin |
[(1R)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 2-methylpropanoate |
8 |
12 |
NPC186098 |
Paeonol |
1-(2-hydroxy-4-methoxyphenyl)ethanone |
16 |
36 |
NPC192601 |
BQSAGDWOHVQNFB-UHFFFAOYSA-N |
n.a. |
0 |
0 |
NPC283655 |
Borneol |
(1R,3S,4R)-4,7,7-trimethylbicyclo[2.2.1]heptan-3-ol |
32 |
77 |
NPC308218 |
DTGKSKDOIYIVQL-ZCUBBSJVSA-N |
n.a. |
0 |
0 |
NPC306765 |
Deoxyshikonin |
5,8-dihydroxy-2-(4-methylpent-3-enyl)naphthalene-1,4-dione |
29 |
32 |
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 |
NPC99886 |
Anethole |
1-methoxy-4-[(E)-prop-1-enyl]benzene |
27 |
52 |
NPC294136 |
PMMLIVYPEUJENN-ZIAGYGMSSA-N |
n.a. |
0 |
0 |
NPC292792 |
Methyleugenol |
1,2-dimethoxy-4-prop-2-enylbenzene |
46 |
79 |
NPC327916 |
[(1R)-1-(5,8-Dihydroxy-1,4-Dioxonaphthalen-2-Yl)-4-Methylpent-3-Enyl] 2-Methylbutanoate |
[(1R)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 2-methylbutanoate |
1 |
1 |
NPC186903 |
RIZBLVRXRWHLFA-UHFFFAOYSA-N |
n.a. |
0 |
0 |
NPC275610 |
AMQSKEKZBYHALN-VUFRXCLUSA-N |
n.a. |
0 |
0 |
NPC180684 |
DTGKSKDOIYIVQL-NRPADANISA-N |
n.a. |
0 |
0 |
NPC257124 |
Eugenol |
2-methoxy-4-prop-2-enylphenol |
98 |
251 |
NPC268862 |
BQOFWKZOCNGFEC-BDAKNGLRSA-N |
n.a. |
0 |
0 |
NPC85123 |
KPKLYXVMHOVJJL-UQOMUDLDSA-N |
n.a. |
0 |
0 |
NPC196490 |
DTGKSKDOIYIVQL-CCNFQMFXSA-N |
n.a. |
0 |
0 |
NPC99244 |
UJZQBMQZMKFSRV-XBXARRHUSA-N |
n.a. |
0 |
0 |
NPC278072 |
QYDYPVFESGNLHU-ZHACJKMWSA-N |
n.a. |
0 |
0 |
NPC103326 |
L-1-Phenylethyl |
(1S)-1-phenylethanol |
1 |
3 |
NPC291517 |
2-Acetylpyrrole |
1-(1H-pyrrol-2-yl)ethanone |
4 |
9 |
NPC303870 |
RMZHSBMIZBMVMN-LSDHHAIUSA-N |
n.a. |
0 |
0 |
NPC164359 |
LHJPKLWGGMAUAN-UHFFFAOYSA-M |
n.a. |
0 |
0 |
NPC259134 |
1-Methoxy-4-[(Z)-Prop-1-Enyl]Benzene |
1-methoxy-4-[(Z)-prop-1-enyl]benzene |
4 |
6 |
NPC168799 |
Methyl Rosmarinate |
methyl (2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypropanoate |
14 |
23 |
NPC61 |
Rosmarinic Acid |
(2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypropanoic acid |
80 |
273 |
NPC89069 |
(-)-Borneol |
4,7,7-trimethylbicyclo[2.2.1]heptan-3-ol |
6 |
6 |
NPC59101 |
HCRBXQFHJMCTLF-LURJTMIESA-N |
n.a. |
0 |
0 |
NPC209275 |
NPNUFJAVOOONJE-BLOBHPOZSA-N |
n.a. |
0 |
0 |
NPC289143 |
UPGLJTCDRBIZKP-UHFFFAOYSA-N |
n.a. |
0 |
0 |
NPC193180 |
Beta-Selinene |
(3R,4aS,8aR)-8a-methyl-5-methylidene-3-prop-1-en-2-yl-1,2,3,4,4a,6,7,8-octahydronaphthalene |
2 |
2 |
NPC304380 |
XNCNNDVCAUWAIT-UHFFFAOYSA-N |
n.a. |
0 |
0 |
NPC155209 |
Ethyl Rosmarinate |
ethyl (2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypropanoate |
4 |
5 |
NPC88566 |
P-Cymene |
1-methyl-4-propan-2-ylbenzene |
12 |
33 |
NPC313170 |
DHYLGBJCEGEBGQ-PHGVPYFASA-N |
n.a. |
0 |
0 |
NPC235059 |
Cinnamaldehyde |
(E)-3-phenylprop-2-enal |
60 |
150 |
NPC58478 |
WTTJVINHCBCLGX-ZDVGBALWSA-N |
n.a. |
0 |
0 |
NPC171530 |
BWQSLRZZOVFVHJ-ABHRYQDASA-N |
n.a. |
0 |
0 |
NPC54264 |
DSSYKIVIOFKYAU-MHPPCMCBSA-N |
n.a. |
1 |
2 |
NPC256463 |
[(1R)-1-(5,8-Dihydroxy-1,4-Dioxonaphthalen-2-Yl)-4-Methylpent-3-Enyl] Propanoate |
[(1R)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] propanoate |
5 |
9 |
NPC83743 |
CZRAPNGXDBHAHC-SOUWYMHNSA-N |
n.a. |
6 |
6 |
NPC111422 |
Beta,Beta-Dimethylacrylalkannin |
[(1S)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 3-methylbut-2-enoate |
18 |
32 |
NPC72695 |
UJZQBMQZMKFSRV-UJVFRBSWSA-N |
n.a. |
0 |
0 |
NPC252257 |
RMZHSBMIZBMVMN-YSSOQSIOSA-N |
n.a. |
0 |
0 |
NPC216630 |
Palmitic Acid |
hexadecanoic acid |
59 |
236 |
NPC109813 |
Beta-Caryophyllene |
(1R,4E,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene |
17 |
51 |
NPC189853 |
YOVSPTNQHMDJAG-UHFFFAOYSA-N |
n.a. |
0 |
0 |
NPC16157 |
NVEQFIOZRFFVFW-SIUPQYRZSA-N |
n.a. |
0 |
0 |
NPC231738 |
NPNUFJAVOOONJE-IZZDOVSWSA-N |
n.a. |
0 |
0 |
NPC189197 |
SNKFFCBZYFGCQN-ARBMFGAVSA-N |
n.a. |
0 |
0 |
NPC87517 |
SNKFFCBZYFGCQN-VWUOOIFGSA-N |
n.a. |
0 |
0 |
NPC13789 |
(-)-Caryophyllene Oxide |
n.a. |
7 |
11 |
NPC194944 |
IEMMBWWQXVXBEU-UHFFFAOYSA-N |
n.a. |
0 |
0 |
NPC216124 |
JBXOUDAZUBZWQI-RGCWGETQSA-N |
n.a. |
0 |
0 |
NPC305660 |
Methyl Tetradecanoate |
methyl tetradecanoate |
6 |
9 |
NPC108375 |
Thiophene |
thiophene |
7 |
17 |
NPC64022 |
UIERETOOQGIECD-ONEGZZNKSA-N |
n.a. |
1 |
1 |
NPC11467 |
DHYLGBJCEGEBGQ-QHIXFNMVSA-N |
n.a. |
0 |
0 |
NPC260951 |
IYEWEDZIDUAUTD-OALSLJFDSA-N |
n.a. |
0 |
0 |
NPC110609 |
Alkannin |
5,8-dihydroxy-2-[(1S)-1-hydroxy-4-methylpent-3-enyl]naphthalene-1,4-dione |
23 |
42 |
NPC119381 |
WTTJVINHCBCLGX-QEFCTBRHSA-N |
n.a. |
0 |
0 |
NPC61066 |
2-Methylbutanoic Acid |
2-methylbutanoic acid |
6 |
10 |
NPC122768 |
(R)-2-Methylbutanoate |
(2R)-2-methylbutanoic acid |
3 |
3 |
NPC75158 |
DTGKSKDOIYIVQL-HHCGNCNQSA-N |
n.a. |
0 |
0 |
NPC309339 |
MONRRGJOOZMWNB-VDOWOWKESA-N |
n.a. |
0 |
0 |
NPC144557 |
Lithospermic Acid |
(2S,3S)-4-[(E)-3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxoprop-1-enyl]-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-3-carboxylic acid |
9 |
13 |
NPC71823 |
UTOUNDHZJFIVPK-UHFFFAOYSA-N |
n.a. |
0 |
0 |
NPC134047 |
Dimethyl Lithospermate |
methyl (2S,3S)-2-(3,4-dihydroxyphenyl)-4-[(E)-3-[(2R)-3-(3,4-dihydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]oxy-3-oxoprop-1-enyl]-7-hydroxy-2,3-dihydro-1-benzofuran-3-carboxylate |
7 |
13 |
NPC39633 |
Methyl (9Z,12Z)-Octadeca-9,12-Dienoate |
methyl (9Z,12Z)-octadeca-9,12-dienoate |
5 |
41 |
NPC87299 |
D-1-Phenylethyl |
(1R)-1-phenylethanol |
1 |
3 |
NPC295777 |
Beta-Ionone |
(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one |
11 |
50 |
NPC161097 |
Hexadecanoic Acid Methyl Ester |
methyl hexadecanoate |
8 |
10 |
NPC101285 |
NVEQFIOZRFFVFW-GUIRCDHDSA-N |
n.a. |
18 |
27 |
NPC189036 |
DTGKSKDOIYIVQL-NQMVMOMDSA-N |
n.a. |
0 |
0 |
NPC167385 |
WTTJVINHCBCLGX-UHFFFAOYSA-N |
n.a. |
0 |
0 |
NPC49151 |
Nonanal |
nonanal |
3 |
17 |
NPC122647 |
ITBIJGTUAQJEBZ-UHFFFAOYSA-N |
n.a. |
0 |
0 |
NPC32749 |
[(1R)-1-(5,8-Dihydroxy-1,4-Dioxonaphthalen-2-Yl)-4-Methylpent-3-Enyl] 3-Methylbutanoate |
[(1R)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 3-methylbutanoate |
4 |
8 |
NPC40249 |
(-)-Camphor |
(1S,4S)-4,7,7-trimethylbicyclo[2.2.1]heptan-3-one |
6 |
234 |
NPC42471 |
2-Pentylfuran |
2-pentylfuran |
3 |
23 |
NPC296337 |
Carene |
4,7,7-trimethylbicyclo[4.1.0]hept-3-ene |
7 |
46 |
NPC151140 |
(S)-2-Methylbutanoate |
(2S)-2-methylbutanoic acid |
3 |
3 |
NPC210288 |
FCSRUSQUAVXUKK-ILWWEHDPSA-N |
n.a. |
0 |
0 |
NPC44751 |
DSSYKIVIOFKYAU-OMNKOJBGSA-N |
n.a. |
0 |
0 |
NPC222001 |
BQOFWKZOCNGFEC-DTWKUNHWSA-N |
n.a. |
0 |
0 |
NPC86062 |
XRXHUBVQDJXFCE-VSFQMYJHSA-N |
n.a. |
0 |
0 |
NPC96630 |
DTGKSKDOIYIVQL-OFQRNFBNSA-N |
n.a. |
0 |
0 |
NPC21836 |
ZPEADZHVGOCGKH-YQTDNFGYSA-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 |
NPC131981 |
Camphor |
(1R,4R)-4,7,7-trimethylbicyclo[2.2.1]heptan-3-one |
41 |
136 |
NPC95952 |
UIERETOOQGIECD-ARJAWSKDSA-N |
n.a. |
2 |
2 |
NPC212707 |
KYQNTUSTJQLIIZ-MRXNPFEDSA-N |
n.a. |
0 |
0 |
NPC252841 |
CVKMFSAVYPAZTQ-UHFFFAOYSA-M |
n.a. |
0 |
0 |
NPC167041 |
VQFZRMDCACACGU-VPWNXCHESA-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 |
NPC174368 |
Valeric Acid |
pentanoic acid |
5 |
20 |
NPC210175 |
BUFMIBZPIZJDBO-USYZRUAHSA-N |
n.a. |
0 |
0 |
NPC215008 |
Naphthoquinone |
naphthalene-1,4-dione |
54 |
114 |
NPC208075 |
Phenylacetaldehyde |
2-phenylacetaldehyde |
5 |
18 |
NPC7491 |
NVEQFIOZRFFVFW-SFDCQRBFSA-N |
n.a. |
2 |
2 |
NPC199052 |
QACLUURODSWXLR-AQDCRGGLSA-N |
n.a. |
0 |
0 |