Exact Mass: 518.1183576

Exact Mass Matches: 518.1183576

Found 38 metabolites which its exact mass value is equals to given mass value 518.1183576, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Alisertib

4-{[13-chloro-10-(2-fluoro-6-methoxyphenyl)-3,5,9-triazatricyclo[9.4.0.0^{2,7}]pentadeca-1(11),2,4,6,9,12,14-heptaen-4-yl]amino}-2-methoxybenzoic acid

C27H20ClFN4O4 (518.1157042)


C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor

   
   

Cephalochromin

Cephalochromin

C28H22O10 (518.1212912)


D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D002511 - Cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams

   

5,7-dihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one

NCGC00380462-01!5,7-dihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one

C21H26O15 (518.1271646)


   

Tri-Ac -eta-Pyrromycinone

Tri-Ac -eta-Pyrromycinone

C28H22O10 (518.1212912)


   

(5aS)-5c,12c-diacetoxy-7a,14a-bis-methylsulfanyl-(5ar,7at,12ac,14at)-5,5a,7a,8,12,12a,14a,15-octahydro-oxepino[3,4:4,5]pyrrolo[1,2:4,5]pyrazino[1,2-a]indole-7,14-dione|acetylapoaranotin|Bis-dethio-7a,14a-di-(methylmercapto)-O-acetyl-apoaranotin|bisdethiobis(methylthio)acetylapoaranotin|Didethiodi(methylthio)acetylapoaranotin|O-acetyl-S,S-dimethyl-S,S-dihydro-apoaranotin

(5aS)-5c,12c-diacetoxy-7a,14a-bis-methylsulfanyl-(5ar,7at,12ac,14at)-5,5a,7a,8,12,12a,14a,15-octahydro-oxepino[3,4:4,5]pyrrolo[1,2:4,5]pyrazino[1,2-a]indole-7,14-dione|acetylapoaranotin|Bis-dethio-7a,14a-di-(methylmercapto)-O-acetyl-apoaranotin|bisdethiobis(methylthio)acetylapoaranotin|Didethiodi(methylthio)acetylapoaranotin|O-acetyl-S,S-dimethyl-S,S-dihydro-apoaranotin

C24H26N2O7S2 (518.1181366000001)


   

5,7,8-trihydroxycoumarin-5-beta-gentiobioside

5,7,8-trihydroxycoumarin-5-beta-gentiobioside

C21H26O15 (518.1271646)


   

13,15-dihydroxy-7-(6-O-sulfate-beta-D-glucopyranosyl)desoxyhemigossypol

13,15-dihydroxy-7-(6-O-sulfate-beta-D-glucopyranosyl)desoxyhemigossypol

C21H26O13S (518.1094066)


   
   

scirpusin C|[(2S,3S)-6,7-dihydroxy-3-(3,5-dihydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)-4-(3,5-dihydroxystyryl)-2,3-dihydrobenzofuran]

scirpusin C|[(2S,3S)-6,7-dihydroxy-3-(3,5-dihydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)-4-(3,5-dihydroxystyryl)-2,3-dihydrobenzofuran]

C28H22O10 (518.1212912)


   

5,6,8-trihydroxy-2-methyl-9-(5,6,8-trihydroxy-2-methyl-4-oxo-2,3-dihydrobenzo[g]chromen-9-yl)-2,3-dihydrobenzo[g]chromen-4-one

NCGC00180856-03!5,6,8-trihydroxy-2-methyl-9-(5,6,8-trihydroxy-2-methyl-4-oxo-2,3-dihydrobenzo[g]chromen-9-yl)-2,3-dihydrobenzo[g]chromen-4-one

C28H22O10 (518.1212912)


   

5,7-dihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one

5,7-dihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one

C21H26O15 (518.1271646)


   

5,7-dihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one [IIN-based: Match]

NCGC00380462-01!5,7-dihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one [IIN-based: Match]

C21H26O15 (518.1271646)


   

cephalochromin_major

cephalochromin_major

C28H22O10 (518.1212912)


   

2 7-BIS(BROMOMETHYL)-9 9-DIHEXYL-9H-FLU&

2 7-BIS(BROMOMETHYL)-9 9-DIHEXYL-9H-FLU&

C27H36Br2 (518.1183576)


   

Alisertib

Alisertib (MLN8237)

C27H20ClFN4O4 (518.1157042)


C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor

   
   
   

3,4,5-trihydroxy-6-[2-hydroxy-4-[(E)-3-oxo-3-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]prop-1-enyl]phenoxy]oxane-2-carboxylic acid

3,4,5-trihydroxy-6-[2-hydroxy-4-[(E)-3-oxo-3-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]prop-1-enyl]phenoxy]oxane-2-carboxylic acid

C21H26O15 (518.1271646)


   

(2R,9Ra)-5,5,6,6,8,8-hexahydroxy-2,2-dimethyl-2,3-dihydro-4H,4H-[9,9-bibenzo[g]chromene]-4,4-dione

(2R,9Ra)-5,5,6,6,8,8-hexahydroxy-2,2-dimethyl-2,3-dihydro-4H,4H-[9,9-bibenzo[g]chromene]-4,4-dione

C28H22O10 (518.1212912)


   

Ustilaginoidin G

Ustilaginoidin G

C28H22O10 (518.1212912)


A binaphthopyran resulting from the formal oxidative coupling at positions 9 of molecules of 5,6,8-trihydroxy-2-methyl-2,3-dihydro-4H-benzo[g]chromen-4-one and (6S)-5,6,8-(6S)-5,6,8-trihydroxy-2-methyl-6,9-dihydro-4H-benzo[g]chromen-4-one.

   

[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-{[6-hydroxy-10-(hydroxymethyl)-7-[(2s)-1-hydroxypropan-2-yl]-2-oxatricyclo[6.3.1.0⁴,¹²]dodeca-1(12),4,6,8,10-pentaen-5-yl]oxy}oxan-2-yl]methoxysulfonic acid

[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-{[6-hydroxy-10-(hydroxymethyl)-7-[(2s)-1-hydroxypropan-2-yl]-2-oxatricyclo[6.3.1.0⁴,¹²]dodeca-1(12),4,6,8,10-pentaen-5-yl]oxy}oxan-2-yl]methoxysulfonic acid

C21H26O13S (518.1094066)


   

5-(acetyloxy)-1,11-bis(methylsulfanyl)-2,12-dioxo-18-oxa-3,13-diazapentacyclo[11.8.0.0³,¹¹.0⁴,⁹.0¹⁴,²⁰]henicosa-6,8,16,19-tetraen-15-yl acetate

5-(acetyloxy)-1,11-bis(methylsulfanyl)-2,12-dioxo-18-oxa-3,13-diazapentacyclo[11.8.0.0³,¹¹.0⁴,⁹.0¹⁴,²⁰]henicosa-6,8,16,19-tetraen-15-yl acetate

C24H26N2O7S2 (518.1181366000001)


   

6-[(1e)-2-(3,4-dihydroxyphenyl)ethenyl]-3-(1-{6-[(1e)-2-(3,4-dihydroxyphenyl)ethenyl]-4-hydroxy-2-oxopyran-3-yl}ethyl)-4-hydroxypyran-2-one

6-[(1e)-2-(3,4-dihydroxyphenyl)ethenyl]-3-(1-{6-[(1e)-2-(3,4-dihydroxyphenyl)ethenyl]-4-hydroxy-2-oxopyran-3-yl}ethyl)-4-hydroxypyran-2-one

C28H22O10 (518.1212912)


   

7,8-dihydroxy-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}chromen-2-one

7,8-dihydroxy-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}chromen-2-one

C21H26O15 (518.1271646)


   

(1r,4s,5s,11r,14s,15s)-5-(acetyloxy)-1,11-bis(methylsulfanyl)-2,12-dioxo-18-oxa-3,13-diazapentacyclo[11.8.0.0³,¹¹.0⁴,⁹.0¹⁴,²⁰]henicosa-6,8,16,19-tetraen-15-yl acetate

(1r,4s,5s,11r,14s,15s)-5-(acetyloxy)-1,11-bis(methylsulfanyl)-2,12-dioxo-18-oxa-3,13-diazapentacyclo[11.8.0.0³,¹¹.0⁴,⁹.0¹⁴,²⁰]henicosa-6,8,16,19-tetraen-15-yl acetate

C24H26N2O7S2 (518.1181366000001)


   

(5-{[(1e,2s,8as)-2,5,5,8a-tetramethyl-hexahydro-2h-naphthalen-1-ylidene]methyl}-3-formyl-2-hydroxy-4-(sulfooxy)phenyl)oxidanesulfonic acid

(5-{[(1e,2s,8as)-2,5,5,8a-tetramethyl-hexahydro-2h-naphthalen-1-ylidene]methyl}-3-formyl-2-hydroxy-4-(sulfooxy)phenyl)oxidanesulfonic acid

C22H30O10S2 (518.1280320000001)


   

6-[2-(3,4-dihydroxyphenyl)ethenyl]-3-(1-{6-[2-(3,4-dihydroxyphenyl)ethenyl]-4-hydroxy-2-oxopyran-3-yl}ethyl)-4-hydroxypyran-2-one

6-[2-(3,4-dihydroxyphenyl)ethenyl]-3-(1-{6-[2-(3,4-dihydroxyphenyl)ethenyl]-4-hydroxy-2-oxopyran-3-yl}ethyl)-4-hydroxypyran-2-one

C28H22O10 (518.1212912)


   

(5-{[(1e,2s,4as,8as)-2,5,5,8a-tetramethyl-hexahydro-2h-naphthalen-1-ylidene]methyl}-3-formyl-2-hydroxy-4-(sulfooxy)phenyl)oxidanesulfonic acid

(5-{[(1e,2s,4as,8as)-2,5,5,8a-tetramethyl-hexahydro-2h-naphthalen-1-ylidene]methyl}-3-formyl-2-hydroxy-4-(sulfooxy)phenyl)oxidanesulfonic acid

C22H30O10S2 (518.1280320000001)


   

(3,4,5-trihydroxy-6-{[6-hydroxy-10-(hydroxymethyl)-7-(1-hydroxypropan-2-yl)-2-oxatricyclo[6.3.1.0⁴,¹²]dodeca-1(12),4,6,8,10-pentaen-5-yl]oxy}oxan-2-yl)methoxysulfonic acid

(3,4,5-trihydroxy-6-{[6-hydroxy-10-(hydroxymethyl)-7-(1-hydroxypropan-2-yl)-2-oxatricyclo[6.3.1.0⁴,¹²]dodeca-1(12),4,6,8,10-pentaen-5-yl]oxy}oxan-2-yl)methoxysulfonic acid

C21H26O13S (518.1094066)


   

(2r)-5,6,8-trihydroxy-2-methyl-9-[(2r)-5,6,8-trihydroxy-2-methyl-4-oxo-2h,3h-naphtho[2,3-b]pyran-9-yl]-2h,3h-naphtho[2,3-b]pyran-4-one

(2r)-5,6,8-trihydroxy-2-methyl-9-[(2r)-5,6,8-trihydroxy-2-methyl-4-oxo-2h,3h-naphtho[2,3-b]pyran-9-yl]-2h,3h-naphtho[2,3-b]pyran-4-one

C28H22O10 (518.1212912)


   

5,6,8-trihydroxy-2-methyl-9-{5,6,8-trihydroxy-2-methyl-4-oxo-2h,3h-naphtho[2,3-b]pyran-9-yl}-2h,3h-naphtho[2,3-b]pyran-4-one

5,6,8-trihydroxy-2-methyl-9-{5,6,8-trihydroxy-2-methyl-4-oxo-2h,3h-naphtho[2,3-b]pyran-9-yl}-2h,3h-naphtho[2,3-b]pyran-4-one

C28H22O10 (518.1212912)


   

(5-{[(1e)-2,5,5,8a-tetramethyl-hexahydro-2h-naphthalen-1-ylidene]methyl}-3-formyl-2-hydroxy-4-(sulfooxy)phenyl)oxidanesulfonic acid

(5-{[(1e)-2,5,5,8a-tetramethyl-hexahydro-2h-naphthalen-1-ylidene]methyl}-3-formyl-2-hydroxy-4-(sulfooxy)phenyl)oxidanesulfonic acid

C22H30O10S2 (518.1280320000001)


   

7,8-dihydroxy-5-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}chromen-2-one

7,8-dihydroxy-5-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}chromen-2-one

C21H26O15 (518.1271646)


   

5-[3-(3,5-dihydroxyphenyl)-4-[2-(3,5-dihydroxyphenyl)ethenyl]-6,7-dihydroxy-2,3-dihydro-1-benzofuran-2-yl]benzene-1,2,3-triol

5-[3-(3,5-dihydroxyphenyl)-4-[2-(3,5-dihydroxyphenyl)ethenyl]-6,7-dihydroxy-2,3-dihydro-1-benzofuran-2-yl]benzene-1,2,3-triol

C28H22O10 (518.1212912)


   

5-[(2s,3s)-3-(3,5-dihydroxyphenyl)-4-[(1e)-2-(3,5-dihydroxyphenyl)ethenyl]-6,7-dihydroxy-2,3-dihydro-1-benzofuran-2-yl]benzene-1,2,3-triol

5-[(2s,3s)-3-(3,5-dihydroxyphenyl)-4-[(1e)-2-(3,5-dihydroxyphenyl)ethenyl]-6,7-dihydroxy-2,3-dihydro-1-benzofuran-2-yl]benzene-1,2,3-triol

C28H22O10 (518.1212912)