Exact Mass: 456.2184
Exact Mass Matches: 456.2184
Found 500 metabolites which its exact mass value is equals to given mass value 456.2184
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Kurarinol
Kurarinol is a trihydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 7, 2 and 4 , a methoxy group at position 5 and a (2S)-5-hydroxy-5-methyl-2-(prop-1-en-2-yl)hexyl group at position 8 respectively. It has a role as an anti-inflammatory agent, an antioxidant and a plant metabolite. It is a trihydroxyflavanone, a monomethoxyflavanone and a member of 4-hydroxyflavanones. It is functionally related to a (2S)-flavanone. Kurarinol is a natural product found in Albizia julibrissin and Sophora flavescens with data available. A trihydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 7, 2 and 4 , a methoxy group at position 5 and a (2S)-5-hydroxy-5-methyl-2-(prop-1-en-2-yl)hexyl group at position 8 respectively.
Vindoline
Vindoline is a vinca alkaloid, an alkaloid ester, an organic heteropentacyclic compound, a methyl ester, an acetate ester, a tertiary amino compound and a tertiary alcohol. It is a conjugate base of a vindolinium(1+). Vindoline is a natural product found in Catharanthus ovalis, Catharanthus trichophyllus, and other organisms with data available. Vindoline is an indole alkaloid that exhibits antimitotic activity by inhibiting microtubule assembly. (NCI) D000970 - Antineoplastic Agents > D014748 - Vinca Alkaloids C1744 - Multidrug Resistance Modulator Vindoline, a vinca alkaloid extracted from the leaves of Catharanthus roseus, weakly inhibits tubulin self-assembly[1]. Vindoline, a vinca alkaloid extracted from the leaves of Catharanthus roseus, weakly inhibits tubulin self-assembly[1].
Kuraridinol
A member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at positions 2, 4, 2 and 4, a methoxy group at position 6 and a 5-hydroxy-5-methyl-2-(prop-1-en-2-yl)hexyl group at position 3 respectively.
1-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-glycero-3-phosphate
1-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-glycero-3-phosphate is classified as a member of the 1-acylglycerol-3-phosphates. 1-acylglycerol-3-phosphates are lysophosphatidic acids where the glycerol is esterified with a fatty acid at O-1 position. 1-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-glycero-3-phosphate is considered to be practically insoluble (in water) and acidic. 1-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-glycero-3-phosphate is a glycerophosphate lipid molecule
LysoPA(20:5(5Z,8Z,11Z,14Z,17Z)/0:0)
LysoPA(20:5(5Z,8Z,11Z,14Z,17Z)/0:0) is a lysophosphatidic acid. It is a glycerophospholipid in which a phosphate moiety occupies a glycerol substitution site. Lysophosphatidic acids can have different combinations of fatty acids of varying lengths and saturation attached at the C-1 (sn-1) or C-2 (sn-2) position. Fatty acids containing 16 and 18 carbons are the most common. LysoPA(20:5(5Z,8Z,11Z,14Z,17Z)/0:0), in particular, consists of one chain of eicosapentaenoic acid at the C-1 position. Lysophosphatidic acid is the simplest possible glycerophospholipid. It is the biosynthetic precursor of phosphatidic acid. Although it is present at very low levels only in animal tissues, it is extremely important biologically, influencing many biochemical processes.
Sudan black B
N-[(2S)-1-[[(2S)-1-Amino-1-oxopropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide
Vindoline
Melianthugenin
1-(3-Furyl)-5-hydroxy-4b,7,7,9b,11a-pentamethyldodecahydrooxireno[2,3-d]oxireno[2,3:7,8]naphtho[2,1-f]isochromene-3,8(3ah,4bh)-dione #
berkeleydione
A meroterpenoid found in Penicillium rubrum. It has been shown to exhibit inhibitory activity against caspase-1.
11-O-acetyl-8-epi-torilolone 8-O-beta-D-glucopyranoside
1,5,8-Trihydroxy-12,13-dihydro-3,10-dimethyl-5,12-diisopropyldibenzo[a,h]anthracene-6(5H)-one
2,2-Dimethyl-5,10-dimethoxy-9-hydroxy-11-(3-methoxy-3-methylbutyl)-2,3,4,12-tetrahydro-1,7-dioxabenzo[a]anthracene-12-one
(+)-chloranthalacatone F|(1aS,5aR,5bR,9aS,10aS,11aR,11bS,11cS,11dS,11eS,11fR,12aS)-3,8,11b,11e-tetramethyl-1,10-dimethylene-1,1a,2,9,9a,10,10a,11,11a,11d,11e,11f,12,12a-tetradecahydrocyclopropa[3,4]cyclopenta[1,2:3,4]cyclopenta[1,2:5,6]biphenyleno[8a,8-b:8b,1-b]difuran-4,7(11bH,11cH)-dione|chloranthalactone A photodimer|Chloranthalactone F
(2S)-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-(4-hydroxy-4-methylpentyl)-8-methyl-2,3,7,8-tetrahydropyrano[3,2-g]chromen-4(6H)-one|Tomentin B
8,10-dihydroxy-5a-isopropyl-2,2,4,4-tetramethyl-7-(3-methylbutyryl)-5a,10b-dihydro-4H-benzo[b]benzo[4,5]furo[3,2-d]furan-1,3-dione|rhodomyrtosone A
(2S)-8-(5-hydroxy-2-isoprenyl-5-methylhexyl)-7-methoxy-5,2,4-trihydroxyflavanone
16-methoxy-cathovaline|Dihydrovindoline ether|Dihydrovindolinether|ent-4alpha-acetoxy-3,6alpha-epoxy-16-methoxy-1-methyl-aspidospermidine-3beta-carboxylic acid methyl ester
(2S)-6-[2-(1-hydroxy-1-methylethyl)-5-methyl-4-hexenyl]-5-methoxy-7,2,4-trihydroxyflavanone
1,6-Dihydroxy-2-(3-methyl-2-butenyl)-3,7-dimethoxy-8-(3-methoxy-3-methylbutyl)-9H-xanthene-9-one
9-Hydroxy-gamma-geraniol-1-O-(6-acetyl-3-angelyl)-beta-D-glucopyranoside|9-Hydroxy-gamma-geraniol-1-O-<6-acetyl-3-angelyl>-beta-D-glucopyranoside
16beta-acetoxy-3beta,14beta-dihydroxy-19-oxo-bufa-4,20,22-trienolide|scillicyanosidin
1,7-Dideacetoxy-1,7-Dioxo-3-Deacetylkhivorin_major
Ala Phe Gly Tyr
Ala Phe Tyr Gly
Ala Gly Phe Tyr
Ala Gly Tyr Phe
Ala His Met Val
Ala His Val Met
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Phe Ala Gly Tyr
Phe Ala Tyr Gly
Phe Phe Gly Ser
Phe Phe Ser Gly
Phe Gly Ala Tyr
Phe Gly Phe Ser
Phe Gly His Pro
Phe Gly Pro His
Phe Gly Ser Phe
Phe Gly Tyr Ala
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Phe Ser Gly Phe
Phe Tyr Ala Gly
Phe Tyr Gly Ala
Gly Ala Phe Tyr
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Gly Phe Tyr Ala
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Gly Tyr Ala Phe
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His Ala Met Val
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Ile Gly His Met
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Ser Phe Phe Gly
Ser Phe Gly Phe
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Tyr Gly Phe Ala
17-trifluoromethylphenyl trinor PGF2&alpha
3,6-BIS[[(1,1-DIMETHYLETHYL)DIMETHYLSILYL]OXY]-9H-XANTHEN-9-ONE
10-([1,1-Biphenyl]-4-yl)anthracen-9-yl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
3-Quinolineacetic acid, 4-(2,3-dihydropyrano[4,3,2-de]quinolin-7-yl)-α-(1,1-dimethylethoxy)-2-methyl-, methyl ester, (αS,4R)-
Aminophylline Dihydrate
C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor
7-(Furan-3-yl)-15-hydroxy-1,8,12,16,16-pentamethyl-3,6-dioxapentacyclo[9.8.0.02,4.02,8.012,17]nonadecane-5,13,19-trione
1-(5Z,8Z,11Z,14Z,17Z-Eicosapentaenoyl)-glycero-3-phosphoric acid
N-[2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-N-(2-furanylmethyl)-5-phenyl-1H-pyrrole-2-carboxamide
3-[(1-cyclopentyl-5-tetrazolyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methyl]-7-methoxy-1H-quinolin-2-one
(2S)-2-[[(3,5-dimethoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-oxo-2-(4-propan-2-ylanilino)ethyl] ester
3-[3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-oxolanylmethyl)-5-tetrazolyl]methyl]-6-methyl-1H-quinolin-2-one
(4Z)-4-[(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)methylidene]-2-(4-propan-2-yloxyphenyl)-1,3-oxazol-5-one
N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(cyclopentylamino)-2-oxoethyl]-N-(5-methyl-3-isoxazolyl)butanediamide
1-[1-[[1-[(4-Methylphenyl)methyl]-5-tetrazolyl]methyl]-4-piperidinyl]-5-(trifluoromethyl)benzotriazole
N(6)-lactobionoylhexane-1,6-diamine
A primary amide formed between lactobionic acid and hexane-1,6-diamine.
(2S,3S,3aR,9bR)-3-(hydroxymethyl)-6-oxo-7-[(E)-2-phenylethenyl]-N-(2-pyridin-4-ylethyl)-1,2,3,3a,4,9b-hexahydropyrrolo[2,3-a]indolizine-2-carboxamide
(2R,3R,3aS,9bS)-3-(hydroxymethyl)-6-oxo-7-[(E)-2-phenylethenyl]-N-(2-pyridin-4-ylethyl)-1,2,3,3a,4,9b-hexahydropyrrolo[2,3-a]indolizine-2-carboxamide
N-[(2R,3R)-4-[benzenesulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyloxane-4-carboxamide
N-[(2R,3S)-4-[benzenesulfonyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-4-oxanecarboxamide
N-[(2S,3R)-4-[benzenesulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyloxane-4-carboxamide
N-[(2R,3S)-4-[benzenesulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyloxane-4-carboxamide
N-[(2R,3S,6R)-6-[2-[[(2,5-difluoroanilino)-oxomethyl]amino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-(4-morpholinyl)acetamide
N-[(2S,3S,6R)-6-[2-[[(2,5-difluoroanilino)-oxomethyl]amino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-(4-morpholinyl)acetamide
N-[(2S,3S,6S)-6-[2-[[(2,5-difluoroanilino)-oxomethyl]amino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-(4-morpholinyl)acetamide
N-[(2S,3S)-4-[benzenesulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-4-oxanecarboxamide
N-[(2S,3S)-4-[benzenesulfonyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-4-oxanecarboxamide
[(8S,9S,10R)-6-(4-methoxyphenyl)sulfonyl-9-[4-[(E)-prop-1-enyl]phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
[(8R,9S,10S)-6-(4-methoxyphenyl)sulfonyl-9-[4-[(E)-prop-1-enyl]phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
[(8R,9R,10R)-6-(4-methoxyphenyl)sulfonyl-9-[4-[(E)-prop-1-enyl]phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
1-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-methoxyphenyl)urea
1-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-(4-methoxyphenyl)urea
N-[(2S,3R,6S)-6-[2-[[(2,5-difluoroanilino)-oxomethyl]amino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-(4-morpholinyl)acetamide
N-[(2S,3R,6R)-6-[2-[[(2,5-difluoroanilino)-oxomethyl]amino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-(4-morpholinyl)acetamide
N-[(2R,3R,6R)-6-[2-[[(2,5-difluoroanilino)-oxomethyl]amino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-(4-morpholinyl)acetamide
N-[(2R,3S,6S)-6-[2-[[(2,5-difluoroanilino)-oxomethyl]amino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-(4-morpholinyl)acetamide
N-[(2R,3R,6S)-6-[2-[[(2,5-difluoroanilino)-oxomethyl]amino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-(4-morpholinyl)acetamide
N-[(2R,3R)-4-[benzenesulfonyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-4-oxanecarboxamide
N-[(2S,3R)-4-[benzenesulfonyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-4-oxanecarboxamide
N-[(2R,4aR,12aR)-2-[2-(ethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-5-methyl-3-isoxazolecarboxamide
2-[(3S,6aS,8R,10aS)-1-[(2-fluorophenyl)-oxomethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(phenylmethyl)acetamide
[(8R,9R,10S)-6-(4-methoxyphenyl)sulfonyl-9-[4-[(E)-prop-1-enyl]phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
[(8S,9R,10S)-6-(4-methoxyphenyl)sulfonyl-9-[4-[(E)-prop-1-enyl]phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
[(8R,9S,10R)-6-(4-methoxyphenyl)sulfonyl-9-[4-[(E)-prop-1-enyl]phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
[(8S,9S,10S)-6-(4-methoxyphenyl)sulfonyl-9-[4-[(E)-prop-1-enyl]phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
[(8S,9R,10R)-6-(4-methoxyphenyl)sulfonyl-9-[4-[(E)-prop-1-enyl]phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
[(2S,3R)-1-(4-oxanylmethyl)-3-phenyl-6-(phenylmethyl)sulfonyl-1,6-diazaspiro[3.3]heptan-2-yl]methanol
1-Arachidonoylglycerone 3-phosphate
A 1-acylglycerone 3-phosphate in which the acyl group is specified as arachidonoyl.
methyl (1S,10R,11S,12S,19S)-11-acetyloxy-12-ethyl-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraene-10-carboxylate
[1-[2,3-Dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-pentanoyloxypropan-2-yl] octanoate
[1-Hydroxy-3-[hydroxy-(3-hydroxy-2-pentanoyloxypropoxy)phosphoryl]oxypropan-2-yl] octanoate
[1-[(2-Hexanoyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] heptanoate
[1-[(2-Butanoyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] nonanoate
[1-Hydroxy-3-[hydroxy-(3-hydroxy-2-propanoyloxypropoxy)phosphoryl]oxypropan-2-yl] decanoate
[1-[(2-Acetyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] undecanoate
[1-[2,3-Dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-hexanoyloxypropan-2-yl] heptanoate
[1-Butanoyloxy-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl] nonanoate
[1-[2,3-Dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-propanoyloxypropan-2-yl] decanoate
[1-Acetyloxy-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl] undecanoate
2-Arachidonoyl-sn-glycero-3-phosphate(2-)
A 2-acyl-sn-glycero-3-phosphate(2-) obtained by deprotonation of the phosphate OH groups of 2-arachidonoyl-sn-glycero-3-phosphate; major species at pH 7.3.
1-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-glycero-3-phosphate
phosphatidylglycerol 13:0
A phosphatidylglycerol in which the two acyl groups contain 13 carbon atoms and no double bonds
1-Arachidonoyl-sn-glycerol 3-phosphate(2-)
A 1-acyl-sn-glycerol 3-phosphate(2-) obtained by deprotonation of the phosphate OH groups of 1-arachidonoyl-sn-glycero-3-phosphate.
TAPI-0
TAPI-0 is a TACE (TNF-α converting enzyme; ADAM17) inhibitor with an IC50 of 100 nM. TAPI-0 is a MMP inhibitor and also attenuates TNF-α processing[1][2].
2-(2,4-dihydroxyphenyl)-7-hydroxy-6-[3-hydroxy-3-methyl-2-(3-methylbut-2-en-1-yl)butyl]-5-methoxy-2,3-dihydro-1-benzopyran-4-one
7-[2-(furan-3-yl)propyl]-8-methyl-9-[(2-methylbut-2-enoyl)oxy]-3-oxo-1h,5h,6h,6ah,8h,9h,10h-naphtho[4,4a-c]furan-7-carboxylic acid
2-[(acetyloxy)methyl]-3,5-dihydroxy-6-[(8-hydroxy-7-methyl-3-methylideneoct-6-en-1-yl)oxy]oxan-4-yl 2-methylbut-2-enoate
5,13,16,24-tetramethyl-9,20-dimethylidene-3,26-dioxanonacyclo[13.11.0.0¹,²³.0²,⁶.0²,¹⁴.0⁸,¹³.0¹⁰,¹².0¹⁶,²¹.0¹⁷,¹⁹]hexacosa-5,23-diene-4,25-dione
2,18-dimethyl (1r,9r,16r,18s,21s)-4,5-dimethoxy-2,12-diazahexacyclo[14.2.2.1⁹,¹².0¹,⁹.0³,⁸.0¹⁶,²¹]henicosa-3,5,7-triene-2,18-dicarboxylate
(2e,4e,6e)-1-{4-[(acetyloxy)methyl]-2,5-dioxo-7-oxabicyclo[4.1.0]hept-3-en-1-yl}-3,7,11-trimethyldodeca-2,4,6,10-tetraen-1-yl acetate
(6as,7s,8s,9s,10as)-7-[(2s)-2-(furan-3-yl)propyl]-8-methyl-9-{[(2z)-2-methylbut-2-enoyl]oxy}-3-oxo-1h,5h,6h,6ah,8h,9h,10h-naphtho[4,4a-c]furan-7-carboxylic acid
(1s,3as,4s,7r,8s,8bs)-4,7,8-trihydroxy-1-[(1s,2e)-1-hydroxy-2-methylhex-2-en-1-yl]-3a-methyl-7-(2-methylphenyl)-1h,4h,5h,8h,8bh-indeno[5,4-b]furan-2,6-dione
5-hydroxy-9,16-dimethyl-8-(6-oxopyran-3-yl)-15,17,20-trioxahexacyclo[14.3.1.1¹⁴,¹⁸.0¹,¹³.0⁴,¹².0⁵,⁹]henicosane-13-carbaldehyde
1-{2,4-dihydroxy-3-[5-hydroxy-5-methyl-2-(prop-1-en-2-yl)hexyl]-6-methoxyphenyl}-3-(2,4-dihydroxyphenyl)prop-2-en-1-one
7,8-dihydroxy-1,1,4a-trimethyl-6-methylidene-5-{[(2-oxochromen-7-yl)oxy]methyl}-hexahydro-2h-naphthalen-2-yl acetate
(2e)-1-{2,4-dihydroxy-3-[(2s)-5-hydroxy-5-methyl-2-(prop-1-en-2-yl)hexyl]-6-methoxyphenyl}-3-(2,4-dihydroxyphenyl)prop-2-en-1-one
assafoetidnol b
{"Ingredient_id": "HBIN017163","Ingredient_name": "assafoetidnol b","Alias": "NA","Ingredient_formula": "C26H32O7","Ingredient_Smile": "CC(=O)OC1CCC2(C(C(=C)C(C(C2C1(C)C)O)O)COC3=CC4=C(C=C3)C=CC(=O)O4)C","Ingredient_weight": "456.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1911","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "636584","DrugBank_id": "NA"}