Exact Mass: 394.2216
Exact Mass Matches: 394.2216
Found 500 metabolites which its exact mass value is equals to given mass value 394.2216
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
alpha-Bixin
D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids Principal colouring matter of Bixa orellana (annatto) seeds [DFC] Principal colouring matter of Bixa orellana (annatto) seeds. Bixin (BX), isolated from the seeds of Bixa orellana, is a carotenoid, possessing anti-inflammatory, anti-tumor and anti-oxidant activities. Bixin treatment ameliorated cardiac dysfunction through inhibiting fibrosis, inflammation and reactive oxygen species (ROS) generation[1].
Chromafenozide
3'-Methoxy-[6]-Gingerdiol 3,5-diacetate
3-Methoxy-[6]-Gingerdiol 3,5-diacetate is a carboxylic ester. 3-Methoxy-[6]-Gingerdiol 3,5-diacetate is a natural product found in Zingiber officinale with data available. 3-Methoxy-[6]-Gingerdiol 3,5-diacetate is found in ginger. 3-Methoxy-[6]-Gingerdiol 3,5-diacetate is a constituent of ginger (Zingiber officinale) rhizomes. Constituent of ginger (Zingiber officinale) rhizomes. 3-Methoxy-[6]-Gingerdiol 3,5-diacetate is found in herbs and spices and ginger.
beta-Bixin
beta-Bixin is a constituent of the pigment annatto found in Bixa orellana (achiote). Annatto has been linked with many cases of food-related allergies, and is the only natural food coloring believed to cause as many allergic-type reactions as artificial food coloring. Because it is a natural colorant, companies using annatto may label their products "all natural" or "no artificial colors". Annatto, sometimes called Roucou, is a derivative of the achiote trees of tropical regions of the Americas, used to produce a red food coloring and also as a flavoring. Its scent is described as "slightly peppery with a hint of nutmeg" and flavor as "slightly sweet and peppery". It is a major ingredient in the popular spice blend "Sazn" made by Goya Foods D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids Constituent of Bixa orellana (annatto) Beta-Bixin is a diterpenoid. Bixin (BX), isolated from the seeds of Bixa orellana, is a carotenoid, possessing anti-inflammatory, anti-tumor and anti-oxidant activities. Bixin treatment ameliorated cardiac dysfunction through inhibiting fibrosis, inflammation and reactive oxygen species (ROS) generation[1].
Secoeremopetasitolide B
Secoeremopetasitolide B is found in green vegetables. Secoeremopetasitolide B is a constituent of Petasites japonicus (sweet coltsfoot). Constituent of Petasites japonicus (sweet coltsfoot). Secoeremopetasitolide B is found in green vegetables.
(R)-2',4',7-Trihydroxy-3',8-diprenylisoflavan
(R)-2,4,7-Trihydroxy-3,8-diprenylisoflavan is found in herbs and spices. (R)-2,4,7-Trihydroxy-3,8-diprenylisoflavan is a constituent of Glycyrrhiza glabra (licorice)
Pteroside Z
Pteroside Z is found in green vegetables. Pteroside Z is a constituent of Pteridium aquilinum (bracken fern)
(3b,6b,8b,12a)-8,12-Epoxy-7(11)-eremophilene-6-angeloyloxy-8,12-dimethoxy-3-ol
(3b,6b,8b,12a)-8,12-Epoxy-7(11)-eremophilene-6-angeloyloxy-8,12-dimethoxy-3-ol is found in green vegetables. (3b,6b,8b,12a)-8,12-Epoxy-7(11)-eremophilene-6-angeloyloxy-8,12-dimethoxy-3-ol is a constituent of Petasites japonicus (sweet coltsfoot) Constituent of Petasites japonicus (sweet coltsfoot). (3b,6b,8b,12a)-8,12-Epoxy-7(11)-eremophilene-6-angeloyloxy-8,12-dimethoxy-3-ol is found in green vegetables.
(18E)-20-Methoxy-4,8,13,17-tetramethyl-20-oxoicosa-2,4,6,8,10,12,14,16,18-nonaenoic acid
trans-4-[4-(4-Amino-7,7-dimethyl-7H-pyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexaneacetic acid
[1S-(1alpha,4alpha,5beta,5aalpha,9abeta,9balpha)]-1,4,5,5a,6,7,8,9,9a,9b-Decahydro-6,6,9a-trimethylnaphtho[1,2-c]furan-1,4,5-triol triacetate
[4S-[4alpha,4aalpha,5alpha,6alpha(Z),8aalpha,9abeta]]-2,4,4a,5,6,7,8,8a,9,9a-Decahydro-4,8a-dihydroxy-9a-methoxy-3,4a,5-trimethyl-2-oxonaphtho[2,3-b]furan-6-yl ester 2-methyl-2-butenoic acid
5-Methoxy-8,8-dimethyl-10-(3,7-dimethylocta-1,6-dien-3-yl)-2H,8H,benzo[1,2-b:5,4-b]dipyran-2-one
(E,E,Z)-8,12-Bis(acetyloxy)-10-[(acetyloxy)methyl]-2,6-dimethyl-2,6,10-dodecatrienal
3beta-angeloyloxy-8beta,10beta-dihydroxy-6beta-methoxyeremophilenolide
(-)-Linderatin
carfentanyl
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist D002491 - Central Nervous System Agents > D000700 - Analgesics
6sigma-acetoxy-1-hydroxy-14-isobutyryloxyeriolanolide
rel-(7R,8S,1R,3R,4R,5S,6R)-Delta8-4,5,6-trihydroxy-3,4,3-trimethoxy-8.1,7.O.6-neolignan
1-acetoxy-6alpha-hydroxy-14-isobutyryloxyeriolanolide
16beta-O-methylnigakihemiacetal C|Nigakihemiacetal F
6alpha-hydroxy-9-desacylineupatorolide-9-O-(3-methyl-pent-3c-enoate)
(4S*,4aR*,6S*)-7-[(beta-D-glucopyranosyl)oxy]-4,4a,5,6-tetrahydro-4,4a-dimethyl-6-(1-methylethenyl)naphthalen-2(3H)-one|8-[(beta-D-glucopyranosyl)oxy]eremophila-1(10),8,11-trien-2-one
3beta-angeloyloxy-8beta,10beta-dihydroxy-6beta-methoxyeremophilenolide|3??-Angeloyloxy-8??,10??-dihydroxy-6??-methoxyeremophilenolide
4beta-acetoxy-11-hydroxy-3beta-(2-methylbutyryloxy)-eudesm-6-en-8-one
1beta-angeloyloxy-6beta,10beta-dihydroxy-8beta-methoxyeremophil-7(11)-en-8alpha,12-olide
1-acetyl-5-angeloyl lapiferol|10alpha-acetoxy-6alpha-angeloyloxy-8alpha,9alpha-epoxy-trans-caxotan-4beta-ol|6alpha-angeloyl-10alpha-acetyl-8,9-epoxy-jaeschkeanadiol|lapiferin
9,10-epoxy-6alpha-O-tigloyl-7alphaH-8beta-O-acetylgermacra-3(4)E-en-5beta-ol|trijugin C
8alpha-isobutyroyloxy-10beta-hydroxy-11alpha-acetoxyslov-3-enolide
1beta,6alpha,11alpha-triacetoxy-11,12-epoxydrim-7-ene|Tri-Ac-11, 12-Epoxy-7-drimene-1, 6, 11-triol
11alpha,13-Dihydro,8-(2,3-epoxy-2-methylbutanoyl),1-Me ether-1,8-Dihydroxy-9-oxo-4,11(13)-germacradien-12,6-olide
(2R)-6-(2-acetoxytridecyl)-5-hydroxy-2-methoxy-1,4-benzoquinone
dimethyl 9alpha-fluoro-2beta-hydroxy-1beta,4aalpha-dimethyl-8-methylenegibbane-1alpha,10beta-dicarboxylate
9,10-epoxy-5beta-O-tigloyl-7alphaH-8beta-O-acetylgermacra-3(4)E-en-6alpha-ol|trijugin A
(16S)-1alpha,6beta,7beta-trihydroxy-17-methoxy-7alpha,20:14alpha,20-diepoxy-ent-kaur-15-one|isoadenolin C
(1R,2S,5R,6S)-1-((1S,2E,4S,6E)-1,4-dihydroxy-3,7,11-trimethyldodeca-2,6,10-trienyl)-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-ene-2,5-diol|arthrobotrisin B
(1R,2S,5R,6S)-1-((1S,2E,5R,6E)-1,5-dihydroxy-3,7,11-trimethyldodeca-2,6,10-trienyl)-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-ene-2,5-diol|arthrobotrisin A
(-)-6beta,12,15-triacetoxy -1beta,7alpha,10beta-H-guaia-4,11(13)-dien-3-ol
(3R,4R,6R,7S,8S,10R)-1-oxo-3-methoxy-8-angeloyloxy-10-hydroxygermacra-11(13)-en-12,6-olide|rufesolide D
5-hydroxy-6-n-pentyl-7-(n-pentyloxy)flavone|lawsochrysin
5alpha,6alpha-epoxy-22-hydroxy-26,27-dinor-17(13?18)abeo-5alpha-cholesta-2,13,15,17-tetraene-1,24-dione|salpichrolide U
20(R*)-6beta,11beta,14beta,15beta-tetrahydroxy-20-methoxy-3alpha,20-epoxy-ent-kaur-16-en-7-one|isorothornin F
(E)-2,6-di(3-methyl-2-buten-1-yl)-3,4,5-trihydroxy-3-methoxystilbene
20(R*)-6beta,11alpha,15alpha-trihydroxy-20-methoxy-6,20alpha-epoxy-6,7-seco-1alpha,7-olide-ent-kaur-16-ene|isorosthin E
3-geranyl-2,3,4,5-tetrahydroxystilbene|isochlorophorin
6beta-acetoxy-1alpha,7beta-dihydroxy-8,13-epoxylabd-14-en-11-one|8,13-epoxy-1alpha,6beta,7beta-trihydroxy-labd-14-en-11-one 6-acetate|9-deoxycoleonol B
ent-18-acetoxy-3beta,7alpha,17-trihydroxy-15beta,16beta-epoxykaurane
(1alpha,3beta,5beta,6alpha,9beta,10alpha,11beta,13beta)-1,6,11,16-tetrahydroxyabieta-7,15(17)-dien-3-yl acetate|ent-abienervonin A
3alpha-epoxyangeloyloxy-4alpha-acetoxy-eudesm-8-one
8beta-caproyloxy-10beta-hydroxy-1-desoxyhirsutinolide
ent-3beta-acetoxy-7alpha,17,18-trihydroxy-15beta,16beta-epoxykaurane
1beta,3beta,11alpha-triacetoxy-11,12-epoxydrim-7-ene|Tri-Ac-11, 12-Epoxy-7-drimenen-1, 3, 11-triol
(1alpha,6beta,11beta,20S)-7alpha,20-epoxy-1,6,7-trihydroxy-20-methoxy-8,15-seco-ent-kaur-16-en-11,15-olide|Rubescensin T
4alpha-hydroxy-8alpha-isobutyroyloxy-4,5-dihydro-5,6-dehydro-10,13-bis-O-methyljalcaguaianolide
3alpha-(2,3-epoxy-2-methylbutyryloxy)-4alpha-formyloxy-11-hydroxy-6,7-dehydroeudesman-8-one
6beta-acetoxy-2beta-angeloyloxy-1alpha,10beta,4beta,5alpha-diepoxygermacrane
8alpha-(2,3-epoxy-2-methylbutyryloxy)-9alpha-hydroxy-1alpha-methoxy-1,10alpha-dihydromontahibisciolide
3-(2,4-Dihydroxyphenyl)-6,8-bis(3-methyl-2-butenyl)-7-hydroxychroman
(E)-4-[3-hydroxy-5-methoxy-2,6-bis(3-methylbut-2-enyl)styryl]benzene-1,2-diol|artochamin G
cytosporic acid
A monocarboxylic acid that is 3,8-dimethyl-5-oxo-1,2,3,4,4a,8a-hexahydronaphthalene-1-carboxylic acid substituted by a (2R)-hexan-2-yl at position 7, a hydroxy group at position 6 and a 3-hydroxypropanoyl group at position 8. It is a fungal metabolite produced by Cytospora with HIV-1 integrase inhibitory activity.
C22H34O6_2-Hydroxy-2,5,5,8a-tetramethyl-5-oxododecahydro-2H-dispiro[furan-3,2-furan-5,1-naphthalen]-4-yl acetate
C22H34O6_(1aR,2S,2aS,5R,5aS,6S,7aS)-2-Acetoxy-5-hydroxy-5-isopropyl-2a,7a-dimethyldecahydroazuleno[5,6-b]oxiren-6-yl (2Z)-2-methyl-2-butenoate
Bixin
A carotenoic acid that is the 6-monomethyl ester of 9-cis-6,6-diapocarotene-6,6-dioic acid. D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids Bixin (BX), isolated from the seeds of Bixa orellana, is a carotenoid, possessing anti-inflammatory, anti-tumor and anti-oxidant activities. Bixin treatment ameliorated cardiac dysfunction through inhibiting fibrosis, inflammation and reactive oxygen species (ROS) generation[1].
(7E)-(3S,6RS)-6,19-epithio-23,24-dinor-9,10-seco-5(10),7-choladiene-3,22-diolS,S-dioxide
Kanzonol X
(3b,6b,8b,12a)-8,12-Epoxy-7(11)-eremophilene-6-angeloyloxy-8,12-dimethoxy-3-ol
Pteroside Z
Secoeremopetasitolide B
FA 22:5;O4
(6RS)-22-hydroxy-23,24,25,26,27-pentanorvitamin D3 6,19-sulfur dioxide adduct
2-hydroxy-5-methoxy-3-(2R-acetoxy-tridecyl)-1,4-benzoquinone
(S)-7-(((BENZYLOXY)CARBONYL)AMINO)-3-((TERT-BUTOXYCARBONYL)AMINO)HEPTANOIC ACID
1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazolium tetrafluoroborate
4-BENZYLOXY-2-PYRROLIDIN-1-YLMETHYL-PYRROLIDINE-1-CARBOXYLICACIDBENZYLESTER
Urea, N-cyclopentyl-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-N-(4-fluorophenyl)- (9CI)
Urea, N-cyclopentyl-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-N-(2-fluorophenyl)- (9CI)
4-[4-[5-(Aminomethyl)-2-oxo-3-oxazolidinyl]-2-fluorophenyl]-1-piperazinecarboxylic acid tert-butyl ester
methyl N6-[(1,1-dimethylethoxy)carbonyl]-N2-[(phenylmethoxy)carbonyl]-L-lysinate
Quisinostat
C471 - Enzyme Inhibitor > C1946 - Histone Deacetylase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent
1-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-3-propan-2-ylimidazolidin-2-one
DGAT-3
T863 is an orally active, selective and potent DGAT1 (acyl-CoA:diacylglycerol acyltransferase 1) inhibitor with an IC50 of 15 nM. T863 has no inhibitory activity against human MGAT3, human DGAT2, or human MGAT2. T863 interacts with the acyl-CoA binding site of DGAT1, and inhibits triacylglycerol synthesis in cells[1][2].
(S)-tert-butyl 4-(4-(5-(aminomethyl)-2-oxooxazolidin-3-yl)-2-fluorophenyl)piperazine-1-carboxylate
1,2-O-(1-Methylethylidene)-3-O-(phenylmethyl)-alpha-D-glucofuranose 6-(2,2-dimethylpropanoate)
butyl prop-2-enoate,2-hydroxyethyl formate,prop-2-enoic acid,styrene
ethenyl(triethoxy)silane,methyl 2-methylprop-2-enoate,styrene
Carfentanil, C-11
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics
Topixantrone
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent
1-[2-[4-(4-Fluorobenzoyl)piperidin-1-yl]ethyl]-3,3-dimethylindol-2-one
1-[4-(Dimethylamino)phenyl]-3-[4-(4-morpholinyl)anilino]pyrrolidine-2,5-dione
D-Phenylalanyl-N-{4-[amino(Iminio)methyl]benzyl}-L-Prolinamide
amino({3-[6-(1H-indol-3-yl)-3-{[(2S)-2-methylbutanoyl]amino}pyrazin-2-yl]propyl}amino)methaniminium
Viteagnusin I
A labdane diterpenoid that is isolated from the fruits of Vitex agnus-castus.
(2S)-2-[[(2R)-2-[(2-ethyl-6-oxo-5-propan-2-yl-1H-pyrazine-3-carbonyl)amino]-4-methylpentanoyl]amino]propanoic acid
2-phenyl-N-[1-(phenylmethyl)-4-piperidinyl]-4-quinazolinamine
2-[(4,6-Dimethyl-3-isoxazolo[5,4-b]pyridinyl)oxy]-1-[3-methyl-4-(3-methylphenyl)-1-piperazinyl]ethanone
(1R,2S,5R,8R,9S,10S,11R,15S,16R,18R)-9,10,15,18-tetrahydroxy-16-methoxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one
1-Methyl-4-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-5-pyrrolo[3,2-b]pyrrolecarboxylic acid ethyl ester
(8E,10Z,13Z,15E,19Z)-7,17-bis(hydroperoxy)docosa-8,10,13,15,19-pentaenoic acid
(1R,2S,3S,5R,8R,9S,10S,11R,16S,18R)-3,9,10,18-tetrahydroxy-16-methoxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one
(4Z,7Z,11Z,13Z,15E,17S)-10,17-bis(hydroperoxy)docosa-4,7,11,13,15-pentaenoic acid
N-[[(2R,3S,4R)-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-3-fluorobenzamide
N-[[(2S,3R,4S)-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-3-fluorobenzamide
3-cyclopentyl-1-[[(2S,3R,4S)-4-(hydroxymethyl)-3-[4-(3-pyridinyl)phenyl]-2-azetidinyl]methyl]-1-methylurea
2-cyclopropyl-1-[(2R,3R)-1-[(3-fluorophenyl)methyl]-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]ethanone
(2S,3S)-2-(hydroxymethyl)-1-[oxo(pyridin-4-yl)methyl]-3-phenyl-N-propyl-1,6-diazaspiro[3.3]heptane-6-carboxamide
(2R,3R)-2-(hydroxymethyl)-6-[oxo(3-pyridinyl)methyl]-3-phenyl-N-propyl-1,6-diazaspiro[3.3]heptane-1-carboxamide
(2S,3S)-2-(hydroxymethyl)-6-[oxo(3-pyridinyl)methyl]-3-phenyl-N-propyl-1,6-diazaspiro[3.3]heptane-1-carboxamide
2-cyclopropyl-1-[(2S,3R)-6-[(2-fluorophenyl)methyl]-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-1-yl]ethanone
(2R,3R)-2-(hydroxymethyl)-1-[oxo(2-pyridinyl)methyl]-3-phenyl-N-propan-2-yl-1,6-diazaspiro[3.3]heptane-6-carboxamide
[(2S,3R)-6-(4-oxanylmethyl)-3-phenyl-1-(5-pyrimidinylmethyl)-1,6-diazaspiro[3.3]heptan-2-yl]methanol
1-[(2S,3R)-1-(cyclopropylmethyl)-3-[4-(4-fluorophenyl)phenyl]-2-(hydroxymethyl)-1,6-diazaspiro[3.3]heptan-6-yl]ethanone
2-cyclopropyl-1-[(2S,3R)-1-[(3-fluorophenyl)methyl]-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]ethanone
2-cyclopropyl-1-[(2S,3S)-1-[(3-fluorophenyl)methyl]-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]ethanone
1-[(2R,3R)-1-(cyclopropylmethyl)-3-[4-(4-fluorophenyl)phenyl]-2-(hydroxymethyl)-1,6-diazaspiro[3.3]heptan-6-yl]ethanone
1-[(2S,3S)-1-(cyclopropylmethyl)-3-[4-(4-fluorophenyl)phenyl]-2-(hydroxymethyl)-1,6-diazaspiro[3.3]heptan-6-yl]ethanone
(2S,3R)-2-(hydroxymethyl)-1-[oxo(pyridin-4-yl)methyl]-3-phenyl-N-propyl-1,6-diazaspiro[3.3]heptane-6-carboxamide
(2R,3R)-2-(hydroxymethyl)-1-[oxo(pyridin-4-yl)methyl]-3-phenyl-N-propyl-1,6-diazaspiro[3.3]heptane-6-carboxamide
(2S,3R)-2-(hydroxymethyl)-6-[oxo(3-pyridinyl)methyl]-3-phenyl-N-propyl-1,6-diazaspiro[3.3]heptane-1-carboxamide
(2S,3R)-2-(hydroxymethyl)-1-[oxo(2-pyridinyl)methyl]-3-phenyl-N-propan-2-yl-1,6-diazaspiro[3.3]heptane-6-carboxamide
(2S,3S)-2-(hydroxymethyl)-1-[oxo(2-pyridinyl)methyl]-3-phenyl-N-propan-2-yl-1,6-diazaspiro[3.3]heptane-6-carboxamide
1-[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butyl]-4-(2-methoxyphenyl)piperazin-1-ium
(7Z,11Z,13Z,15E,19Z)-10,17-bis(hydroperoxy)docosa-7,11,13,15,19-pentaenoic acid
(1R,9S,10S,11S)-10-(hydroxymethyl)-12-methyl-6-oxo-5-[(Z)-prop-1-enyl]-N-(pyridin-2-ylmethyl)-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide
(1S,9R,10R,11R)-10-(hydroxymethyl)-12-methyl-6-oxo-5-[(Z)-prop-1-enyl]-N-(pyridin-2-ylmethyl)-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide
(2-hydroxy-3-phosphonooxypropyl) (Z)-pentadec-9-enoate
[(E)-3-hydroxy-2-(propanoylamino)non-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
[(E)-2-acetamido-3-hydroxydec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
(1S,2S,3E,7S,8R,11S,12Z)-7-Acetoxy-2,17-dihydroxy-8,11-epidioxycembra-3,12,15-triene
[(E)-2-(butanoylamino)-3-hydroxyoct-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
(8E,10Z,13Z,15E,19Z)-7,17-bis(hydroperoxy)docosapentaenoic acid
A hydroperoxydocosapentaenoic acid that is (8E,10Z,13Z,15E,19Z)-docosapentaenooic acid carrying two hydroperoxy substituents at positions 7 and 17. An intermediate of specialised proresolving mediators.
(4Z,7Z,11Z,13Z,15E,17S)-10,17-bis(hydroperoxy)docosapentaenoic acid
A hydroperoxydocosapentaenoic acid that is (4Z,7Z,11Z,13Z,15E)-docosapentaenoic acid carrying two hydroperoxy substituents at positions 10 and 17.
(7E)-(3S,6RS)-6,19-epithio-23,24-dinor-9,10-seco-5(10),7-choladiene-3,22-diol S,S-dioxide
(1s,2r,4s,6s,7r,8s,11s)-7-(acetyloxy)-8-isopropyl-4,11-dimethyl-5,12-dioxatricyclo[9.1.0.0⁴,⁶]dodecan-2-yl (2z)-2-methylbut-2-enoate
2-methoxy-3-[2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl]-4-methylidenecyclohexyl 4,5-dihydroxyhex-2-enoate
(1s,2s,6s,7s,9r,11s,13s,14r,15s,16s,17s)-15,16-dihydroxy-4,11-dimethoxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadec-4-en-3-one
(2r,4r)-2-[(1z)-2,6-dimethylhepta-1,5-dien-1-yl]-4-ethenyl-7-hydroxy-4,10-dimethyl-2h,3h-pyrano[3,2-c]chromen-5-one
10-hydroxy-6-(hydroxymethyl)-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-8-yl hexanoate
(1r,3r,4r,4as,8as)-4-hydroxy-4-{2-[(2r)-2-hydroxy-5-oxo-2h-furan-3-yl]ethyl}-3,4a,8,8-tetramethyl-hexahydro-1h-naphthalen-1-yl acetate
2,12,16-trihydroxy-5-(hydroxymethyl)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-15-yl acetate
2,6,11,15-tetrahydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-3-yl acetate
2,4-dimethyl 14-fluoro-5-hydroxy-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.0¹,⁹.0³,⁸]pentadecane-2,4-dicarboxylate
[(4ar,7r,8ar)-7-(3-methoxy-3-oxoprop-1-en-2-yl)-4a-methyl-4,5,6,7,8,8a-hexahydro-3h-naphthalen-1-yl]methyl (2e)-3-phenylprop-2-enoate
(3ar,4ar,5r,7as,9ar)-5,8-dimethyl-3-methylidene-5-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-3ah,4h,4ah,6h,7h,7ah,9ah-azuleno[6,5-b]furan-2-one
4-{[(2e)-5-[(1r)-2,2-dimethyl-6-methylidene-3-oxocyclohexyl]-3-methylpent-2-en-1-yl]oxy}-5-methylchromen-2-one
(3s,3as,6s,7r,9br)-6-(2-carboxyethyl)-7-[(1r)-1,2-dihydroxyethyl]-3a,6-dimethyl-8-oxo-1h,2h,3h,4h,5h,7h,9h,9bh-cyclopenta[a]naphthalene-3-carboxylic acid
9,14-dihydroxy-17-(methoxymethyl)-7,7-dimethyl-3,10-dioxapentacyclo[14.2.1.0¹,¹³.0⁴,¹².0⁸,¹²]nonadecane-2,18-dione
(2z,6e,10z,14e)-10-[(acetyloxy)methyl]-16-hydroxy-14-(hydroxymethyl)-2,6-dimethylhexadeca-2,6,10,14-tetraenoic acid
2-isopropyl-6-methyl-5-(4-methyl-3-oxopent-4-en-1-yl)-3-[(3-methylbut-2-en-1-yl)oxy]naphthalene-1,4-dione
[(3as,4s,7ar)-4-(acetyloxy)-5-[(2s)-5-hydroxypentan-2-yl]-3-methylidene-2-oxo-3a,4,7,7a-tetrahydro-1-benzofuran-6-yl]methyl 2-methylpropanoate
[(1r,2s,5r,6r,7r,9r,12s,13r)-5,9,13-trihydroxy-6-(hydroxymethyl)-2,6-dimethyltetracyclo[10.3.1.0¹,¹⁰.0²,⁷]hexadec-10-en-13-yl]methyl acetate
[(1s,2s,5r,6r,7r,10r,12r,13r)-5,13-dihydroxy-6-(hydroxymethyl)-2,6-dimethyl-8-oxotetracyclo[10.3.1.0¹,¹⁰.0²,⁷]hexadecan-13-yl]methyl acetate
(2s)-5-[(2s,5e,7e,9s,10r,11e)-2,10-dihydroxy-9,11-dimethyltrideca-5,7,11-trien-1-yl]-2-hydroxy-2-[(1s)-1-hydroxyethyl]-4-methylfuran-3-one
(3as,4r,6r,9s,10r,11ar)-6-hydroxy-9-methoxy-6,10-dimethyl-3-methylidene-2,7-dioxo-octahydrocyclodeca[b]furan-4-yl (2z)-2-methylbut-2-enoate
13,16-dihydroxy-4,15-dimethoxy-2,14,17-trimethyl-10-oxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadec-4-ene-3,11-dione
(2z)-5-[(7r)-7-[(1r,4z)-1,6-dihydroxy-4-methylhex-4-en-1-yl]-7-methyl-2-oxo-5,6-dihydrooxepin-3-yl]-2-methylpent-2-en-1-yl acetate
(1s,2s,4ar,8ar)-1-(formyloxy)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-6-oxo-3,4,5,8a-tetrahydro-2h-naphthalen-2-yl (2s,3s)-2,3-dimethyloxirane-2-carboxylate
(1r,2r,5s,10r,12r,13s,16s)-14-hydroxy-8-isopropyl-12,16-dimethoxy-2-methyl-15-oxatetracyclo[11.2.1.0²,¹⁰.0⁵,⁹]hexadec-8-ene-5-carboxylic acid
1,3-bis(acetyloxy)propan-2-yl 3-methyl-5-(2,6,6-trimethylcyclohex-1-en-1-yl)pent-2-enoate
(1r,2s,4ar,8ar)-1-(acetyloxy)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-6-oxo-3,4,5,8a-tetrahydro-2h-naphthalen-2-yl (2r)-2-methylbutanoate
10-(3,7-dimethylocta-1,6-dien-3-yl)-5-methoxy-8,8-dimethylpyrano[3,2-g]chromen-2-one
4,4a-dimethyl-6-(prop-1-en-2-yl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4,5,6-tetrahydronaphthalen-2-one
10-[(acetyloxy)methyl]-16-hydroxy-14-(hydroxymethyl)-2,6-dimethylhexadeca-2,6,10,14-tetraenoic acid
6-hydroxy-9-methoxy-6,10-dimethyl-3-methylidene-2,7-dioxo-octahydrocyclodeca[b]furan-4-yl 2-methylbut-2-enoate
(2r,3s,3ar,5r,6r,7s,7ar)-2-(3,4-dimethoxyphenyl)-5-methoxy-3-methyl-3a-(prop-2-en-1-yl)-hexahydro-1-benzofuran-6,7,7a-triol
(3r)-3-{2-hydroxy-4-[(3-methylbut-2-en-1-yl)oxy]-5-(2-methylbut-3-en-2-yl)phenyl}-3,4-dihydro-2h-1-benzopyran-7-ol
3-{2-hydroxy-4-[(3-methylbut-2-en-1-yl)oxy]-5-(2-methylbut-3-en-2-yl)phenyl}-3,4-dihydro-2h-1-benzopyran-7-ol
6-(2-carboxyethyl)-7-(1,2-dihydroxyethyl)-3a,6-dimethyl-8-oxo-1h,2h,3h,4h,5h,7h,9h,9bh-cyclopenta[a]naphthalene-3-carboxylic acid
15-epileoheteronone e
{"Ingredient_id": "HBIN001671","Ingredient_name": "15-epileoheteronone e","Alias": "NA","Ingredient_formula": "C22H34O6","Ingredient_Smile": "CC(=O)OC1(C(=O)CC2C(CCCC2(C13CCC4(O3)CC(OC4)O)C)(C)C)C","Ingredient_weight": "394.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15261","TCMID_id": "6944","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101774203","DrugBank_id": "NA"}
15-epileopersin b
{"Ingredient_id": "HBIN001672","Ingredient_name": "15-epileopersin b","Alias": "NA","Ingredient_formula": "C22H34O6","Ingredient_Smile": "CC(=O)OC1(C(=O)CC2C(CCCC2(C13CCC4(O3)CC(OC4)O)C)(C)C)C","Ingredient_weight": "394.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15262","TCMID_id": "6945","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101685704","DrugBank_id": "NA"}
16,17-dihydrorostronol f
{"Ingredient_id": "HBIN001745","Ingredient_name": "16,17-dihydrorostronol f","Alias": "NA","Ingredient_formula": "C22H34O6","Ingredient_Smile": "CC1C2CC(C3C4(CCCC(C4CC(C3(C2O)C1=O)O)(C)C)CO)OC(=O)C","Ingredient_weight": "394.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5702","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "637202","DrugBank_id": "NA"}
3β-angeloyloxy-8β,10β-dihydroxy-6β-methoxyeremophilenolide
{"Ingredient_id": "HBIN008185","Ingredient_name": "3\u03b2-angeloyloxy-8\u03b2,10\u03b2-dihydroxy-6\u03b2-methoxyeremophilenolide","Alias": "NA","Ingredient_formula": "C21H30O7","Ingredient_Smile": "CC=C(C)C(=O)OC1CCC2(CC3(C(=C(C(=O)O3)C)C(C2(C1C)C)OC)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1217","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6-methylgingediacetate
{"Ingredient_id": "HBIN012563","Ingredient_name": "6-methylgingediacetate","Alias": "NA","Ingredient_formula": "C22H34O6","Ingredient_Smile": "CCCCCC(CC(CCC1=CC(=C(C=C1)OC)OC)OC(=O)C)OC(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14455","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7-debenzoyloxy-10-deacetyl-brevifoliol
{"Ingredient_id": "HBIN013146","Ingredient_name": "7-debenzoyloxy-10-deacetyl-brevifoliol","Alias": "NA","Ingredient_formula": "C22H34O6","Ingredient_Smile": "CC1=C2C(C(C3(CCC(C(=C)C3CC2(CC1O)C(C)(C)O)O)C)OC(=O)C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "4807","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7-debenzoyloxy-10-deacetyl-brevifoliol(i)
{"Ingredient_id": "HBIN013147","Ingredient_name": "7-debenzoyloxy-10-deacetyl-brevifoliol(i)","Alias": "NA","Ingredient_formula": "C22H34O6","Ingredient_Smile": "CC1=C2C(C(C3(CCC(C(=C)C3CC2(CC1O)C(C)(C)O)O)C)OC(=O)C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "26016","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7-debenzoyloxy-10-deacetyl-brevifoliol(ii)
{"Ingredient_id": "HBIN013148","Ingredient_name": "7-debenzoyloxy-10-deacetyl-brevifoliol(ii)","Alias": "NA","Ingredient_formula": "C22H34O6","Ingredient_Smile": "CC1=C2C(C(C3(CCC(C(=C)C3CC2(CC1O)C(C)(C)O)O)C)OC(=O)C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "26015","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
bixin
{"Ingredient_id": "HBIN018639","Ingredient_name": "bixin","Alias": "NA","Ingredient_formula": "C25H30O4","Ingredient_Smile": "CC(=CC=CC=C(C)C=CC=C(C)C=CC(=O)OC)C=CC=C(C)C=CC(=O)O","Ingredient_weight": "394.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2496","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "134688154","DrugBank_id": "NA"}