Exact Mass: 442.2427
Exact Mass Matches: 442.2427
Found 500 metabolites which its exact mass value is equals to given mass value 442.2427
,
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].
2,9-Bis(3-methyl-2E-pentenoyl)-2b,9a-dihydroxy-4Z,10(14)-oplopadien-3-one
2,9-Bis(3-methyl-2E-pentenoyl)-2b,9a-dihydroxy-4Z,10(14)-oplopadien-3-one is found in tea. 2,9-Bis(3-methyl-2E-pentenoyl)-2b,9a-dihydroxy-4Z,10(14)-oplopadien-3-one is a constituent of Tussilago farfara (coltsfoot). Constituent of Tussilago farfara (coltsfoot). 2,9-Bis(3-methyl-2E-pentenoyl)-2b,9a-dihydroxy-4Z,10(14)-oplopadien-3-one is found in tea.
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.
Muzanzagenin
Muzanzagenin is found in green vegetables. Muzanzagenin is a constituent of the wild asparagus (Asparagus africanus) Constituent of the wild asparagus (Asparagus africanus). Muzanzagenin is found in green vegetables.
Prostaglandin G2 2-glyceryl Ester
Prostaglandin G2 2-glyceryl Ester is also known as 2-Glyceryl-prostaglandin g2. Prostaglandin G2 2-glyceryl Ester is considered to be practically insoluble (in water) and acidic
[(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-(2-Carboxyethylthio)-3-(2-(8-phenyloctyl)phenyl)propanoic acid
Benzenepropanoic acid, beta-((2-carboxyethyl)thio)-2-(8-phenyloctyl)-, (betaS)-
DG(2:0/5-iso PGF2VI/0:0)
DG(2:0/5-iso PGF2VI/0:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. DG(2:0/5-iso PGF2VI/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.
DG(5-iso PGF2VI/2:0/0:0)
DG(5-iso PGF2VI/2:0/0:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. DG(5-iso PGF2VI/2:0/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.
DG(2:0/0:0/5-iso PGF2VI)
DG(2:0/0:0/5-iso PGF2VI) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. It is involved in the phospholipid metabolic pathway.
DG(5-iso PGF2VI/0:0/2:0)
DG(5-iso PGF2VI/0:0/2:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. It is involved in the phospholipid metabolic pathway.
9-Hydroxynerolidol-9-O-beta-D-glucopyranoside-2-O-acetate
[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
14-phenoxytetradecanyl 3,5-dihydroxybenzoate|pistiphloro-glucinyl ester
1beta-acetoxy-9alpha-beta-phenyloxacyclobutanoyloxy-beta-dihydroagarofuran
10-(2,3-dihydro-5-hydroxy-7-methyl-1-benzofuran-2-yl)-10-hydroxy-6-methyl-2-(4-methyl-3-pentenyl)-(2E,6E)-undecadienoic acid|thunbergol B
5,7-dihydroxy-4-(1-hydroxypropyl)-6-[(2E)-3,7-dimethyl-2,6-octadienyl]-8-(1-oxobutyl)-2H-benzopyran-2-one|kayeassamin A
3-hexyl-6-(4-hydroxypentyl)-2H-pyran-2-on-4-O-beta-D-glucopyranoside|whitmanoside A
linalool-beta-D-glucopyranoside-2-O-acetate,6O-isovalerate
linalool-beta-D-glucopyranoside-2O-acetate-6O-<2-methylbutyrate>
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
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
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
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 Lys Pro Gln
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3-O-Acetylepisamarcandin
Atlantinone A
(2S)-3,4,4,4-tetradeuterio-2-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-3-(trideuteriomethyl)butanoic acid
tert-butyl N-[6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexyl]carbamate
Dotarizine
C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent > C333 - Calcium Channel Blocker D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker
Benzyl (1-(1-oxo-1-phenylpropan-2-yl)piperidin-4-yl)(phenyl)carbamate
N-(2-aminoethyl)ethane-1,2-diamine,dimethyl-bis(oxiran-2-ylmethyl)azanium,hexanedioic acid,chloride
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
3-(2-Carboxyethylsulfanyl)-3-[3-(8-phenyloctyl)phenyl]propanoic acid
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.
(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
1-[[(2S,3S)-8-(2-cyclopropylethynyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-propan-2-ylurea
1-[[(2R,3R)-8-(2-cyclopropylethynyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-propan-2-ylurea
1-[[(2R,3R)-8-(2-cyclopropylethynyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-propan-2-ylurea
1-[[(2R,3S)-8-(2-cyclopropylethynyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-propan-2-ylurea
1-[[(2S,3S)-8-(2-cyclopropylethynyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-propan-2-ylurea
1-[[(2S,3R)-8-(2-cyclopropylethynyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-propan-2-ylurea
1-[[(2R,3S)-8-(2-cyclopropylethynyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-propan-2-ylurea
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
1-[[(2S,3R)-8-(2-cyclopropylethynyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-propan-2-ylurea
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
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
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
2,3-Dihydroxypropyl (2-hydroxy-3-tetradecoxypropyl) hydrogen phosphate
[3-[2,3-Dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] tridecanoate
Prostaglandin G2 2-glyceryl Ester
A 2-monoglyceride obtained by formal condensation of the carboxy group of prostaglandin G2 with the 2-hydroxy group of glycerol.
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.