Exact Mass: 394.2243
Exact Mass Matches: 394.2243
Found 500 metabolites which its exact mass value is equals to given mass value 394.2243
,
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].
(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.
LysoPA(P-16:0/0:0)
1-(1Z-hexadecenyl)-sn-glycero-3-phosphate is an intermediate of ether lipid metabolism. Ether lipids are lipids in which one or more of the carbon atoms on glycerol is bonded to an alkyl chain via an ether linkage, as opposed to the usual ester linkage. 1-(1Z-hexadecenyl)-sn-glycero-3-phosphate is irreversibly produced from 1-(1Z-hexadecenyl)-sn-glycero-3-phosphoethanolamine via the enzyme alkylglycerophosphoethanolamine phosphodiesterase (EC: 3.1.4.39). Plasmalogens are glycerol ether phospholipids. They are of two types, alkyl ether (-O-CH2-) and alkenyl ether (-O-CH=CH-). Dihydroxyacetone phosphate (DHAP) serves as the glycerol precursor for the synthesis of plasmalogens. Three major classes of plasmalogens have been identified: choline, ethanolamine and serine derivatives. Ethanolamine plasmalogen is prevalent in myelin. Choline plasmalogen is abundant in cardiac tissue. Usually, the highest proportion of the plasmalogen form is in the ethanolamine class with rather less in choline, and commonly little or none in other phospholipids such as phosphatidylinositol. In choline plasmalogens of most tissues, a higher proportion is often of the O-alkyl rather than the O-alkenyl form, but the reverse tends to be true in heart lipids. In animal tissues, the alkyl and alkenyl moieties in both non-polar and phospholipids tend to be rather simple in composition with 16:0, 18:0 and 18:1 (double bond in position 9) predominating. Ether analogues of triacylglycerols, i.e. 1-alkyldiacyl-sn-glycerols, are present at trace levels only if at all in most animal tissues, but they can be major components of some marine lipids. 1-(1Z-hexadecenyl)-sn-glycero-3-phosphate is an intermediate of ether lipid metabolism. Ether lipids are lipids in which one or more of the carbon atoms on glycerol is bonded to an alkyl chain via an ether linkage, as opposed to the usual ester linkage.
(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
ent-3beta-acetoxy-7alpha,17,18-trihydroxy-15beta,16beta-epoxykaurane
6beta-acetoxy-2beta-angeloyloxy-1alpha,10beta,4beta,5alpha-diepoxygermacrane
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
FA 22:5;O4
1-palmitylglycerone 3-phosphate
A 1-alkylglycerone 3-phosphate in which the alkyl group is specified as palmityl (hexadecyl).
(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
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
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
(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
1-Hexadecyl-sn-glycero-3-phosphate(2-)
A 1-alkyl-sn-glycerol 3-phosphate(2-) obtained by deprotonation of the phosphate OH groups of 1-hexadecyl-sn-glycero-3-phosphate; major species at pH 7.3.
(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
(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
4-{[(2e)-5-[(1r)-2,2-dimethyl-6-methylidene-3-oxocyclohexyl]-3-methylpent-2-en-1-yl]oxy}-5-methylchromen-2-one
(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
[(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
(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
(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
10-[(acetyloxy)methyl]-16-hydroxy-14-(hydroxymethyl)-2,6-dimethylhexadeca-2,6,10,14-tetraenoic acid
(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
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"}
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"}