Exact Mass: 641.2096646

Exact Mass Matches: 641.2096646

Found 36 metabolites which its exact mass value is equals to given mass value 641.2096646, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Cyclothialidine

Cyclothialidine

C26H35N5O12S (641.2002830000001)


D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors D004791 - Enzyme Inhibitors

   

Petunidin 3-gentiobioside

2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-3-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium

C28H33O17+ (641.1717668000001)


Petunidin 3-gentiobioside is found in fruits. Petunidin 3-gentiobioside is isolated from Eugenia jambolana (jambolan). Isolated from Eugenia jambolana (jambolan). Petunidin 3-gentiobioside is found in java plum and fruits.

   

Petunin

2-(3,4-dihydroxy-5-methoxyphenyl)-7-hydroxy-3,5-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-1lambda4-chromen-1-ylium

C28H33O17+ (641.1717668000001)


Petunin is found in alcoholic beverages. Petunin is isolated from muscat grapes (Vitis vinifera), muscadine grapes (Vitis rotundifolia) and other plants In probability theory, the Vysochanskij Petunin inequality gives a lower bound for the probability that a random variable with finite variance lies within a certain number of standard deviations of the variables mean, or equivalently an upper bound for the probability that it lies further away. The sole restriction on the distribution is that it be unimodal and have finite variance. (This implies that it is a continuous probability distribution except at the mode, which may have a non-zero probability.) The theorem applies even to heavily skewed distributions and puts bounds on how much of the data is, or is not, "in the middle" Petunin is an anthocyanin found in alcoholic beverages. Petunin is isolated from muscat grapes (Vitis vinifera), muscadine grapes (Vitis rotundifolia) and other plants. Anthocyanins are organic compounds containing a flavylium A ion or 2-phenylchromenylium based skeleton bound to a sugar.

   

N-Trifluoroacetyladriamycinol

N-(6-{[3-(1,2-dihydroxyethyl)-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl]oxy}-3-hydroxy-2-methyloxan-4-yl)-2,2,2-trifluoroethanimidic acid

C29H30F3NO12 (641.1720016)


N-Trifluoroacetyladriamycinol is a metabolite of valrubicin. Valrubicin (N-trifluoroacetyladriamycin-14-valerate, trade name Valstar) is a chemotherapy drug used to treat bladder cancer. Valrubicin is a semisynthetic analog of the anthracycline doxorubicin, and is administered by infusion directly into the bladder. It was originally launched as Valstar in the U.S. (Wikipedia)

   

Petunidin 3-sophoroside

3,5,7,3,4-Pentahydroxy-5-methoxyflavylium 3-glucosyl- (1->2) -glucoside

C28H33O17 (641.1717668000001)


   

Petunidin 3,7-di-glucoside

3,7-Bis (beta-D-glucopyranosyloxy) -5-hydroxy-2- (3,4-dihydroxy-5-methoxyphenyl) -1-benzopyrylium

C28H33O17 (641.1717668000001)


   
   
   

MFTED

Met-Phe-Thr-Glu-Asp

C27H39N5O11S (641.2366664)


   

Petunin

2-(3,4-dihydroxy-5-methoxyphenyl)-7-hydroxy-3,5-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-1$l^{4}-chromen-1-ylium

C28H33O17 (641.1717668000001)


   
   

5-carboxyfluorescein dipivalate n-hydroxysuccinimide ester

5-carboxyfluorescein dipivalate n-hydroxysuccinimide ester

C35H31NO11 (641.1897016)


   

Dactolisib Tosylate

Dactolisib Tosylate

C37H31N5O4S (641.2096646)


C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2152 - Phosphatidylinositide 3-Kinase Inhibitor C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor Dactolisib Tosylate (BEZ235 Tosylate) is a dual PI3K and mTOR kinase inhibitor with IC50 values of 4, 75, 7, 5 nM for PI3Kα, β, γ, δ, respectively. Dactolisib Tosylate (BEZ235 Tosylate) inhibits mTORC1 and mTORC2. Dactolisib Tosylate (BEZ235 Tosylate) is a dual PI3K and mTOR kinase inhibitor with IC50 values of 4, 75, 7, 5 nM for PI3Kα, β, γ, δ, respectively. Dactolisib Tosylate (BEZ235 Tosylate) inhibits mTORC1 and mTORC2.

   

Eluxadoline Dihydrochloride

Eluxadoline Dihydrochloride

C32H37Cl2N5O5 (641.2171612)


   
   

4-Nitrophenyl-3I-thiolaminaritrioside

4-Nitrophenyl-3I-thiolaminaritrioside

C24H35NO17S (641.1625620000001)


   

benzylcarbonyl-Val-D-Cys(O3H)-Thr(1)-D-Thr-bAla-(1)

benzylcarbonyl-Val-D-Cys(O3H)-Thr(1)-D-Thr-bAla-(1)

C27H39N5O11S (641.2366664)


   

dihydrogen 4-O-(2-acetamido-2-deoxy-alpha-D-glucosylphospho)-2-acetamido-2-deoxy-alpha-D-glucosyl 3-aminopropyl phosphate

dihydrogen 4-O-(2-acetamido-2-deoxy-alpha-D-glucosylphospho)-2-acetamido-2-deoxy-alpha-D-glucosyl 3-aminopropyl phosphate

C19H37N3O17P2 (641.1598132)


   

N-Trifluoroacetyladriamycinol

N-Trifluoroacetyladriamycinol

C29H30F3NO12 (641.1720016)


   

JBIR-96

JBIR-96

C27H39N5O11S (641.2366664)


A natural product found in Streptomyces sp. RI051-SDHV6.

   
   

(2s)-2-({[(4r,7s)-7-({[(2s,3r)-1-(2-amino-3-hydroxypropanoyl)-3-hydroxypyrrolidin-2-yl](hydroxy)methylidene}amino)-6,12,14-trihydroxy-11-methyl-10-oxo-3,4,7,8-tetrahydro-1h-9,2,5-benzoxathiazacyclododecin-4-yl](hydroxy)methylidene}amino)propanoic acid

(2s)-2-({[(4r,7s)-7-({[(2s,3r)-1-(2-amino-3-hydroxypropanoyl)-3-hydroxypyrrolidin-2-yl](hydroxy)methylidene}amino)-6,12,14-trihydroxy-11-methyl-10-oxo-3,4,7,8-tetrahydro-1h-9,2,5-benzoxathiazacyclododecin-4-yl](hydroxy)methylidene}amino)propanoic acid

C26H35N5O12S (641.2002830000001)


   

n-(1-{[4,7-dihydroxy-6-(1-hydroxyethyl)-2-methyl-11-oxo-1-oxa-5,8-diazacycloundeca-4,7-dien-3-yl]-c-hydroxycarbonimidoyl}-2-sulfoethyl)-2-[(1-hydroxy-2-phenylethylidene)amino]-3-methylbutanimidic acid

n-(1-{[4,7-dihydroxy-6-(1-hydroxyethyl)-2-methyl-11-oxo-1-oxa-5,8-diazacycloundeca-4,7-dien-3-yl]-c-hydroxycarbonimidoyl}-2-sulfoethyl)-2-[(1-hydroxy-2-phenylethylidene)amino]-3-methylbutanimidic acid

C27H39N5O11S (641.2366664)


   

2-(3,4-dihydroxy-5-methoxyphenyl)-7-hydroxy-3,5-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-1λ⁴-chromen-1-ylium

2-(3,4-dihydroxy-5-methoxyphenyl)-7-hydroxy-3,5-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-1λ⁴-chromen-1-ylium

[C28H33O17]+ (641.1717668000001)


   

5,11-dihydroxy-6-[(4-hydroxy-3-iodophenyl)methyl]-3,7,9,12,14,16,18-heptamethyl-1-oxa-4,7,10-triazacyclooctadeca-4,10,14-triene-2,8-dione

5,11-dihydroxy-6-[(4-hydroxy-3-iodophenyl)methyl]-3,7,9,12,14,16,18-heptamethyl-1-oxa-4,7,10-triazacyclooctadeca-4,10,14-triene-2,8-dione

C28H40IN3O6 (641.196173)


   

(3s)-3-(3,4-dibromo-5-hydroxyphenyl)-3-hydroxy-1-[(8e)-icos-8-enoyl]pyrrolidin-2-one

(3s)-3-(3,4-dibromo-5-hydroxyphenyl)-3-hydroxy-1-[(8e)-icos-8-enoyl]pyrrolidin-2-one

C30H45Br2NO4 (641.1715129999999)


   

(2s)-n-[(1s)-1-{[(2r,3s,6r)-4,7-dihydroxy-6-[(1s)-1-hydroxyethyl]-2-methyl-11-oxo-1-oxa-5,8-diazacycloundeca-4,7-dien-3-yl]-c-hydroxycarbonimidoyl}-2-sulfoethyl]-2-[(1-hydroxy-2-phenylethylidene)amino]-3-methylbutanimidic acid

(2s)-n-[(1s)-1-{[(2r,3s,6r)-4,7-dihydroxy-6-[(1s)-1-hydroxyethyl]-2-methyl-11-oxo-1-oxa-5,8-diazacycloundeca-4,7-dien-3-yl]-c-hydroxycarbonimidoyl}-2-sulfoethyl]-2-[(1-hydroxy-2-phenylethylidene)amino]-3-methylbutanimidic acid

C27H39N5O11S (641.2366664)


   

(2s)-2-({[(4r,7s)-7-({[(2s,3r)-1-[(2s)-2-amino-3-hydroxypropanoyl]-3-hydroxypyrrolidin-2-yl](hydroxy)methylidene}amino)-6,12,14-trihydroxy-11-methyl-10-oxo-3,4,7,8-tetrahydro-1h-9,2,5-benzoxathiazacyclododecin-4-yl](hydroxy)methylidene}amino)propanoic acid

(2s)-2-({[(4r,7s)-7-({[(2s,3r)-1-[(2s)-2-amino-3-hydroxypropanoyl]-3-hydroxypyrrolidin-2-yl](hydroxy)methylidene}amino)-6,12,14-trihydroxy-11-methyl-10-oxo-3,4,7,8-tetrahydro-1h-9,2,5-benzoxathiazacyclododecin-4-yl](hydroxy)methylidene}amino)propanoic acid

C26H35N5O12S (641.2002830000001)


   

2-(3,4-dihydroxy-5-methoxyphenyl)-7-hydroxy-3,5-bis({[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-1λ⁴-chromen-1-ylium

2-(3,4-dihydroxy-5-methoxyphenyl)-7-hydroxy-3,5-bis({[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-1λ⁴-chromen-1-ylium

[C28H33O17]+ (641.1717668000001)


   

(1s,2r,3as,5r,7s,7ar)-2-[(2e)-but-2-enoyl]-1-{[(1s,5s,6s)-4'-chloro-1-hexyl-2-hydroxy-2',4,5'-trioxo-3'-[(1e)-prop-1-en-1-yl]-3-azaspiro[bicyclo[3.1.0]hexane-6,1'-cyclopentane]-2,3'-dien-5-yl]carbonyl}-2-hydroxy-7-methyl-octahydroindene-5-carboxylic acid

(1s,2r,3as,5r,7s,7ar)-2-[(2e)-but-2-enoyl]-1-{[(1s,5s,6s)-4'-chloro-1-hexyl-2-hydroxy-2',4,5'-trioxo-3'-[(1e)-prop-1-en-1-yl]-3-azaspiro[bicyclo[3.1.0]hexane-6,1'-cyclopentane]-2,3'-dien-5-yl]carbonyl}-2-hydroxy-7-methyl-octahydroindene-5-carboxylic acid

C34H40ClNO9 (641.2391460000001)


   

(14z)-5,11-dihydroxy-6-[(4-hydroxy-3-iodophenyl)methyl]-3,7,9,12,14,16,18-heptamethyl-1-oxa-4,7,10-triazacyclooctadeca-4,10,14-triene-2,8-dione

(14z)-5,11-dihydroxy-6-[(4-hydroxy-3-iodophenyl)methyl]-3,7,9,12,14,16,18-heptamethyl-1-oxa-4,7,10-triazacyclooctadeca-4,10,14-triene-2,8-dione

C28H40IN3O6 (641.196173)


   

[2-(3,4-dihydroxy-5-methoxyphenyl)-5-hydroxy-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-7-ylidene][(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxidanium

[2-(3,4-dihydroxy-5-methoxyphenyl)-5-hydroxy-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-7-ylidene][(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxidanium

[C28H33O17]+ (641.1717668000001)


   

3-(3,4-dibromo-5-hydroxyphenyl)-3-hydroxy-1-(icos-8-enoyl)pyrrolidin-2-one

3-(3,4-dibromo-5-hydroxyphenyl)-3-hydroxy-1-(icos-8-enoyl)pyrrolidin-2-one

C30H45Br2NO4 (641.1715129999999)


   

2-(but-2-enoyl)-1-{[4'-chloro-1-hexyl-2-hydroxy-2',4,5'-trioxo-3'-(prop-1-en-1-yl)-3-azaspiro[bicyclo[3.1.0]hexane-6,1'-cyclopentane]-2,3'-dien-5-yl]carbonyl}-2-hydroxy-7-methyl-octahydroindene-5-carboxylic acid

2-(but-2-enoyl)-1-{[4'-chloro-1-hexyl-2-hydroxy-2',4,5'-trioxo-3'-(prop-1-en-1-yl)-3-azaspiro[bicyclo[3.1.0]hexane-6,1'-cyclopentane]-2,3'-dien-5-yl]carbonyl}-2-hydroxy-7-methyl-octahydroindene-5-carboxylic acid

C34H40ClNO9 (641.2391460000001)


   

(3s,6r,9s,12s,14e,16r,18s)-5,11-dihydroxy-6-[(4-hydroxy-3-iodophenyl)methyl]-3,7,9,12,14,16,18-heptamethyl-1-oxa-4,7,10-triazacyclooctadeca-4,10,14-triene-2,8-dione

(3s,6r,9s,12s,14e,16r,18s)-5,11-dihydroxy-6-[(4-hydroxy-3-iodophenyl)methyl]-3,7,9,12,14,16,18-heptamethyl-1-oxa-4,7,10-triazacyclooctadeca-4,10,14-triene-2,8-dione

C28H40IN3O6 (641.196173)