Exact Mass: 442.2263
Exact Mass Matches: 442.2263
Found 500 metabolites which its exact mass value is equals to given mass value 442.2263
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Cinobufagin
Cinobufagin is a steroid lactone. It is functionally related to a bufanolide. Cinobufagin is a natural product found in Bufo gargarizans, Phrynoidis asper, and other organisms with data available. Cinobufagin is a bufadienolide compound extracted from the dried venom secreted by the parotid glands of toads and one of the glycosides in the traditional Chinese medicine ChanSu, with potential antineoplastic activity. Although the mechanism of action of cinobufagin is still under investigation, it has been found to suppress cancer cell proliferation and cause apoptosis in cancer cells via a sequence of apoptotic modulators that include mitochondrial Bax and cytosolic chromosome c, and caspases 3, 8, and 9. Possible upstream mediators of cinobufagin-induced apoptosis include Fas and p53. D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002301 - Cardiac Glycosides C274 - Antineoplastic Agent > C129839 - Apoptotic Pathway-targeting Antineoplastic Agent D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002018 - Bufanolides Annotation level-1 Cinobufagin is an anticancer agent that can be secreted by the Asiatic toad Bufo gargarizans. Cinobufagin induces the cell cycle arrests in the G1 phase or G2/M phase, leading to apoptosis in cancer cells. Cinobufagin inhibits tumor growth in melanoma and glioblastoma multiforme xenograft mouse models[1][2][3]. Cinobufagin is an anticancer agent that can be secreted by the Asiatic toad Bufo gargarizans. Cinobufagin induces the cell cycle arrests in the G1 phase or G2/M phase, leading to apoptosis in cancer cells. Cinobufagin inhibits tumor growth in melanoma and glioblastoma multiforme xenograft mouse models[1][2][3].
Pectachol
Pectachol is found in tea. Pectachol is a constituent of Artemisia abrotanum (southernwood) leaves. Constituent of Artemisia abrotanum (southernwood) leaves. Pectachol is found in tea.
3-O-Acetylepisamarcandin
3-O-Acetylepisamarcandin is found in green vegetables. 3-O-Acetylepisamarcandin is isolated from Ferula assa-foetida (asafoetida Isolated from Ferula assa-foetida (asafoetida). 3-O-Acetylepisamarcandin is found in herbs and spices and green vegetables.
[(2S,4R,5R,6R,14S,16R)-14-Hydroxy-7,11-dimethyl-6-(2-oxopyran-4-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-5-yl] acetate
Cinobufagin
3-[1-[3-(Dimethylamino)propyl]-5-methoxy-1H-indol-3-yl]-4-(1H-indol-3-yl)-1H-pyrrole-2,5-dione
D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors
3-(2-Carboxyethylthio)-3-(2-(8-phenyloctyl)phenyl)propanoic acid
1H-Pyrrole-3-carboxamide, 5-((5-fluoro-1,2-dihydro-2-oxo-3H-indol-3-ylidene)methyl)-N-((2S)-2-hydroxy-3-(4-morpholinyl)propyl)-2,4-dimethyl-
Benzenepropanoic acid, beta-((2-carboxyethyl)thio)-2-(8-phenyloctyl)-, (betaS)-
[1R-(1alpha,2beta,4abeta,5beta,6beta,8aalpha)]-Decahydro-8a-methyl-4-methylene-6-(1-methylethyl)-1,2,5-naphthalenetriol 1,2-diacetate 5-benzoate
(4S)-alpha-terpineol 8-O-beta-D-(3-O,4-O,6-O-triacetyl)glucopyranoside
1beta-acetoxy-9alpha-beta-phenyloxacyclobutanoyloxy-beta-dihydroagarofuran
17,19-dihydroxy-15,16-dimethoxy-1-propionyl-aspidospermidin-21-oic acid 19-lactone|18-Oxoaspidoalbine|21-Oxo-aspidoalbin|21-oxo-aspidoalbine
(19S)-17,19-epoxy-10,11-dimethoxy-4-methyl-3-oxo-(20alphaH)-3,4-seco-coryn-16-ene-16-carboxylic acid methyl ester|10,11-dimethoxy-4,19alpha-dimethyl-3-oxo-(20alpha)-18-oxa-3,4-seco-yohimb-16-ene-16-carboxylic acid methyl ester|10,11-dimethoxy-picraphylline|10,11-Dimethoxypicraphyllin|Dimethoxypicraphyllin
17-acetoxy-corynane-5,16-dicarboxylic acid 16-methyl ester|Adirubinacetat
10,11-dimethoxy-1-methyl desacetyl picraline|10,11-dimethoxy-1-methyl-deacetyl picraline|10,11-dimethoxy-1-methyl-deacetylpicraline|10,11-Dimethoxy-1-methyldeacetylpicraline
5,7-dihydroxy-4-(1-hydroxypropyl)-6-[(2E)-3,7-dimethyl-2,6-octadienyl]-8-(1-oxobutyl)-2H-benzopyran-2-one|kayeassamin A
1-Octanoyl-6-Chloro-1,4,8,15-tetrahydroxy-6-hirsuten-5-one|chloriolin C
10beta-formamido-5beta-isothiocyanatokalihinol A|10beta-formamido-5beta-isothiocyanatokalihinol-A
5,7-dihydroxy-4-(1-hydroxypropyl)-6-(1-oxobutyl)-8-[(2E)-3,7-dimethyl-2,6-octadienyl]-2H-benzopyran-2-one|kayeassamin B
6-acetyl-8-t-cinnamyl-1alpha,10beta-epoxyantakyatriol
6-acetyl-8-t-cinnamyl-4beta,5alpha-epoxyantakyatriol
CAY10509
go 6983
D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors
Englerin A
Englerin A is a guaiane sesquiterpenoid that is isolated from the bark of Phyllanthus engleri, a plant native to Tanzania and Zimbabwe. It acts as a potent and specific inhibitor of renal cancer cell growth. It has a role as a metabolite and an antineoplastic agent. It is a guaiane sesquiterpenoid, a cinnamate ester and a glycolate ester. Englerin A is a natural product found in Phyllanthus engleri with data available. A guaiane sesquiterpenoid that is isolated from the bark of Phyllanthus engleri, a plant native to Tanzania and Zimbabwe. It acts as a potent and specific inhibitor of renal cancer cell growth. Englerin A is a potent and selective activator of TRPC4 and TRPC5 channels, with EC50s of 11.2 and 7.6 nM, respectively. Englerin A can induce renal carcinoma cells death by elevated Ca2+ influx and Ca2+ cell overload[1][2][3].
[6-hydroxy-1,1,4a,6-tetramethyl-5-[(2-oxochromen-7-yl)oxymethyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-yl] acetate
[6-hydroxy-1,1,4a,6-tetramethyl-5-[(2-oxochromen-7-yl)oxymethyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-yl] acetate
C18H34O12_3-Hydroxy-3-(hydroxymethyl)-4-methylpentyl 6-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-glucopyranoside
C26H34O6_1H-Xanthene-1,3(2H)-dione, 4,9-dihydro-6,8-dihydroxy-2,2,4,4-tetramethyl-7-(3-methyl-1-oxobutyl)-9-(2-methylpropyl)
C26H34O6_Androsta-11,15-diene-14-carboxylic acid, 3,19-epoxy-15-hydroxy-4,4,8,12,16-pentamethyl-17,19-dioxo-, methyl ester
C18H34O12_3-Hydroxy-3-(hydroxymethyl)-4-methylpentyl 6-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-glucopyranoside
6,8-dihydroxy-2,2,4,4-tetramethyl-7-(3-methylbutanoyl)-9-(2-methylpropyl)-9H-xanthene-1,3-dione
methyl 8-hydroxy-4,5,7,10,14,14-hexamethyl-6,17-dioxo-16-oxapentacyclo[13.2.2.0¹,¹³.0²,¹⁰.0⁵,⁹]nonadeca-3,7-diene-9-carboxylate
[6-hydroxy-1,1,4a,6-tetramethyl-5-[(2-oxochromen-7-yl)oxymethyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-yl] acetate [IIN-based on: CCMSLIB00000845297]
[6-hydroxy-1,1,4a,6-tetramethyl-5-[(2-oxochromen-7-yl)oxymethyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-yl] acetate [IIN-based: Match]
Ala Cys His Ile
Ala Cys His Leu
Ala Cys Ile His
Ala Cys Leu His
Ala His Cys Ile
Ala His Cys Leu
Ala His Ile Cys
Ala His Leu Cys
Ala Ile Cys His
Ala Ile His Cys
Ala Leu Cys His
Ala Leu His Cys
Ala Pro Gln Gln
Ala Gln Pro Gln
Ala Gln Gln Pro
Cys Ala His Ile
Cys Ala His Leu
Cys Ala Ile His
Cys Ala Leu His
Cys His Ala Ile
Cys His Ala Leu
Cys His Ile Ala
Cys His Leu Ala
Asp Ile Pro Val
Asp Ile Val Pro
Asp Leu Pro Val
Asp Leu Val Pro
Asp Pro Ile Val
Asp Pro Leu Val
Asp Pro Val Ile
Asp Pro Val Leu
Asp Val Ile Pro
Asp Val Leu Pro
Asp Val Pro Ile
Asp Val Pro Leu
Glu Pro Pro Thr
Glu Pro Thr Pro
Glu Pro Val Val
Glu Thr Pro Pro
Glu Val Pro Val
Glu Val Val Pro
Gly Asn Pro Arg
Gly Asn Arg Pro
Gly Pro Asn Arg
Gly Pro Arg Asn
Gly Arg Asn Pro
Gly Arg Pro Asn
His Ile Ser Ser
His Leu Ser Ser
His Ser Ile Ser
His Ser Leu Ser
His Ser Ser Ile
His Ser Ser Leu
His Ser Thr Val
His Ser Val Thr
His Thr Ser Val
His Thr Val Ser
His Val Ser Thr
His Val Thr Ser
Ile Ala His Cys
Ile Cys Ala His
Ile Cys His Ala
Ile Asp Pro Val
Ile Asp Val Pro
Ile His Ala Cys
Ile His Cys Ala
Ile His Ser Ser
Ile Pro Asp Val
Ile Pro Val Asp
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Ile Ser Ser His
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Leu Ala Cys His
Leu Ala His Cys
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Leu Cys His Ala
Leu Asp Pro Val
Leu Asp Val Pro
Leu His Ala Cys
Leu His Cys Ala
Leu His Ser Ser
Leu Pro Asp Val
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Leu Ser Ser His
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Leu Val Pro Asp
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Pro Asp Ile Val
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Pro Asp Val Ile
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Pro Glu Thr Pro
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Pro Gly Arg Asn
Pro Ile Asp Val
Pro Ile Val Asp
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Pro Met Val Pro
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Pro Asn Arg Gly
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Pro Pro Glu Thr
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Pro Pro Thr Glu
Pro Pro Val Met
Pro Gln Ala Gln
Pro Gln Gln Ala
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Pro Val Asp Ile
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Pro Val Val Glu
Gln Ala Pro Gln
Gln Ala Gln Pro
Gln Pro Ala Gln
Gln Pro Gln Ala
Gln Gln Ala Pro
Gln Gln Pro Ala
Arg Gly Asn Pro
Arg Gly Pro Asn
Arg Asn Gly Pro
Arg Asn Pro Gly
Arg Pro Gly Asn
Arg Pro Asn Gly
Ser His Ile Ser
Ser His Leu Ser
Ser His Ser Ile
Ser His Ser Leu
Ser His Thr Val
Ser His Val Thr
Ser Ile His Ser
Ser Ile Ser His
Ser Leu His Ser
Ser Leu Ser His
Ser Ser His Ile
Ser Ser His Leu
Ser Ser Ile His
Ser Ser Leu His
Ser Thr His Val
Ser Thr Val His
Ser Val His Thr
Ser Val Thr His
Thr Glu Pro Pro
Thr His Ser Val
Thr His Val Ser
Thr Pro Glu Pro
Thr Pro Pro Glu
Thr Ser His Val
Thr Ser Val His
Thr Val His Ser
Thr Val Ser His
Val Asp Ile Pro
Val Asp Leu Pro
Val Asp Pro Ile
Val Asp Pro Leu
Val Glu Pro Val
Val Glu Val Pro
Val Gly His Met
Val Gly Met His
Val His Gly Met
Val His Met Gly
Val His Ser Thr
Val His Thr Ser
Val Ile Asp Pro
Val Ile Pro Asp
Val Leu Asp Pro
Val Leu Pro Asp
Val Met Gly His
Val Met His Gly
Val Met Pro Pro
Val Asn Asn Pro
Val Asn Pro Asn
Val Pro Asp Ile
Val Pro Asp Leu
Val Pro Glu Val
Val Pro Ile Asp
Val Pro Leu Asp
Val Pro Met Pro
Val Pro Asn Asn
Val Pro Pro Met
Val Pro Val Glu
Val Ser His Thr
Val Ser Thr His
Val Thr His Ser
Val Thr Ser His
Val Val Glu Pro
Val Val Pro Glu
Gö
3-O-Acetylepisamarcandin
Atlantinone A
(2,3-DIMETHYLPHENYL)(1-TRITYL-1H-IMIDAZOL-5-YL)METHANONE
Benzyl (1-(1-oxo-1-phenylpropan-2-yl)piperidin-4-yl)(phenyl)carbamate
ETHYL 3-(4-AMINO-5-(3-(BENZYLOXY)PHENYL)-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)CYCLOBUTANECARBOXYLATE
butanedioic acid, sulfo-, 1-(2-propenyl) 4-tridecylester, sodium salt
3-[2-(3-hydroxypropoxy)propoxy]propan-1-ol,1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene
9,9-Spirobi[9H-fluoren]-4-ylboronic acid pinacol ester
4,4,5,5-Tetramethyl-2-(9,9-spirobi[9H-fluoren]-3-yl)-1,3,2-dioxaborolane
Basic red 1
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D012235 - Rhodamines D004396 - Coloring Agents > D005456 - Fluorescent Dyes D000970 - Antineoplastic Agents
2-[(9-tert-butyl-1,5-dicyano-2-oxo-3-azaspiro[5.5]undec-4-en-4-yl)thio]-N-cyclohexylacetamide
5-[((3Z)-5-Fluoro-2-oxo-1,2-dihydroindol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid [2-hydroxy-3-(morpholin-4-yl)pr opyl]amide
3-(2-Carboxyethylsulfanyl)-3-[3-(8-phenyloctyl)phenyl]propanoic acid
(2R,3S,4S,5R,6R)-2-[[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[3-hydroxy-3-(hydroxymethyl)-4-methylpentoxy]oxane-3,4,5-triol
8-[2-(4-Methoxyphenyl)-5-phenyl-7-pyrazolo[1,5-a]pyrimidinyl]-1,4-dioxa-8-azaspiro[4.5]decane
2-(1,3-benzodioxol-5-ylamino)-N-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetamide
N-[15(S)-hydroperoxy-(5Z,8Z,11Z,13E)-icosatetraenoyl]taurine(1-)
A fatty acid-taurine conjugate obtained by deprotonation of the sulfonate group of N-[15(S)-hydroperoxy-(5Z,8Z,11Z,13E)-icosatetraenoyl]taurine; major species at pH 7.3.
N-[12(S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]taurine(1-)
A fatty acid-taurine conjugate obtained by deprotonation of the sulfonate group of N-[12(S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]taurine; major species at pH 7.3.
N-[2-[butyl-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]amino]-2-oxoethyl]-2-thiophenecarboxamide
N,N-dimethyl-3-[oxo-(4-phenyl-1-piperazinyl)methyl]-4-(1-pyrrolidinyl)benzenesulfonamide
(3S)-3-cyano-3-[[[(2S)-1-[(2S)-3,3-dimethyl-2-[[(2-methylphenyl)-oxomethyl]amino]-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]propanoic acid
1-[[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea
N-[(2S,3R)-4-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-methoxy-2-methylbutyl]-N-[(2R)-1-hydroxypropan-2-yl]benzamide
N-[2-[1-[2-(7-quinolinyloxy)ethyl]-2-benzimidazolyl]ethyl]cyclohexanecarboxamide
N-[(2S,3S)-4-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-methoxy-2-methylbutyl]-N-[(2S)-1-hydroxypropan-2-yl]benzamide
N-[(1S,3S,4aS,9aR)-3-[2-(cyclohexylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
N-[(1S,3S,4aR,9aS)-3-[2-(cyclohexylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
N-[(2R,3S)-4-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-methoxy-2-methylbutyl]-N-[(2R)-1-hydroxypropan-2-yl]benzamide
N-[(2S,3S)-4-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-methoxy-2-methylbutyl]-N-[(2R)-1-hydroxypropan-2-yl]benzamide
[(3aR,4S,9bR)-8-(1-cyclohexenyl)-5-methyl-1-[(4-methyl-4H-imidazol-2-yl)sulfonyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-4-yl]methanol
[(3aS,4S,9bS)-8-(1-cyclohexenyl)-5-methyl-1-[(4-methyl-4H-imidazol-2-yl)sulfonyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-4-yl]methanol
1-[(2S,3S)-2-(hydroxymethyl)-1-[(2-methoxyphenyl)methyl]-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]-2-phenylethanone
1-[(2R,3R)-2-(hydroxymethyl)-1-[(2-methoxyphenyl)methyl]-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]-2-phenylethanone
N-[(1R,3R,4aR,9aS)-3-[2-(cyclohexylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
N-[(1R,3S,4aR,9aS)-3-[2-(cyclohexylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
N-[(1S,3R,4aS,9aR)-3-[2-(cyclohexylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
N-[(1R,3R,4aS,9aR)-3-[2-(cyclohexylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
N-[(1R,3S,4aS,9aR)-3-[2-(cyclohexylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
N-[(1S,3R,4aR,9aS)-3-[2-(cyclohexylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
N-[(2S,3R)-4-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-methoxy-2-methylbutyl]-N-[(2S)-1-hydroxypropan-2-yl]benzamide
N-[(2R,3R)-4-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-methoxy-2-methylbutyl]-N-[(2S)-1-hydroxypropan-2-yl]benzamide
N-[(2R,3S)-4-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-methoxy-2-methylbutyl]-N-[(2S)-1-hydroxypropan-2-yl]benzamide
N-[(2R,3R)-4-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-methoxy-2-methylbutyl]-N-[(2R)-1-hydroxypropan-2-yl]benzamide
[(3aR,4R,9bR)-8-(1-cyclohexenyl)-5-methyl-1-[(4-methyl-4H-imidazol-2-yl)sulfonyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-4-yl]methanol
1-[(2R,3R)-2-(hydroxymethyl)-6-[(3-methoxyphenyl)methyl]-3-phenyl-1,6-diazaspiro[3.3]heptan-1-yl]-2-phenylethanone
1-[(2S,3R)-2-(hydroxymethyl)-1-[(2-methoxyphenyl)methyl]-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]-2-phenylethanone
1-[(1R)-2-acetyl-1-(hydroxymethyl)-7-methoxy-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]yl]-2-(4-morpholinyl)ethanone
1-[(1S)-2-acetyl-1-(hydroxymethyl)-7-methoxy-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]yl]-2-(4-morpholinyl)ethanone
[3-[2,3-Dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] tridecanoate
1-tridecanoyl-sn-glycero-3-phospho-(1-sn-glycerol)
trichloro(docosyl)silane
An organosilicon compound that is docosylsilane in which the hydrogens attached to the Si atom have been replaced by chloro groups. Metabolite observed in cancer metabolism.