Exact Mass: 394.2157
Exact Mass Matches: 394.2157
Found 500 metabolites which its exact mass value is equals to given mass value 394.2157
,
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].
Ala Ala His Pro
Ala Ala Pro His
Ala His Ala Pro
Ala His Pro Ala
Ala Pro Ala His
Ala Pro His Ala
His Ala Ala Pro
His Ala Pro Ala
His Pro Ala Ala
Pro Ala Ala His
Pro Ala His Ala
Pro His Ala Ala
(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
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
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
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"}