Metabolite List

metabolites which its exact mass nearly 535.1452 with tolerance error 0.01 da.

Malvidin 3-(6-acetylglucoside) (BioCAD00000034283)
Formula: C25H27O13 (Exact Mass: 535.1452)

Malvidin 3-(6-acetylglucoside) is found in alcoholic beverages. Malvidin 3-(6-acetylglucoside) is isolated from grape skins of port wine.

Malvidin 3-(6''-acetyl-galactoside) (BioCAD00000228553)
Formula: C25H27O13 (Exact Mass: 535.1452)

Malvidin 3-(6''-acetyl-galactoside) is a member of the class of compounds known as anthocyanidin-3-o-glycosides. Anthocyanidin-3-o-glycosides are phenolic compounds containing one anthocyanidin moiety which is O-glycosidically linked to a carbohydrate moiety at the C3-position. Malvidin 3-(6''-acetyl-galactoside) is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Malvidin 3-(6''-acetyl-galactoside) can be found in highbush blueberry and lowbush blueberry, which makes malvidin 3-(6''-acetyl-galactoside) a potential biomarker for the consumption of these food products.

plant natural products
Malvidin 3-(6''-acetylglucoside) (BioCAD00000385458)
Formula: C25H27O13 (Exact Mass: 535.1452)

Malvidin 3-(6''-acetylglucoside)

plant natural products
Simaomicin (BioCAD00000584857)
Formula: C28H25NO10 (Exact Mass: 535.1478)

Simaomicin is a member of xanthones. Simaomicin has been reported in Actinomadura madurae with data available. See also: Simaomicin alpha (annotation moved to).

Actinoplanone D (BioCAD00000585041)
Formula: C28H25NO10 (Exact Mass: 535.1478)

[(1R)-1'-ethylsulfonyl-7-methoxy-2-(3-methoxyphenyl)sulfonyl-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]methanol (BioCAD00000587134)
Formula: C24H29N3O7S2 (Exact Mass: 535.1447)

[(1S)-1'-ethylsulfonyl-7-methoxy-2-(3-methoxyphenyl)sulfonyl-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]methanol (BioCAD00000587290)
Formula: C24H29N3O7S2 (Exact Mass: 535.1447)

5H-Indeno(1,2-C)isoquinoline-9-sulfonamide, 6,11-dihydro-N-(3-(4-morpholinyl)propyl)-5-oxo-, methanesulfonate (1:1) (BioCAD00000626259)
Formula: C24H29N3O7S2 (Exact Mass: 535.1447)

INO-1001 is a isoindolinone derivative and potent inhibitor of the nuclear enzyme poly (ADP-ribose) polymerase (PARP) with chemosensitization and radiosensitization properties. INO-1001 inhibits PARP, which may result in inhibition of tumor cell DNA repair mechanisms and, so, tumor cell resistance to chemotherapy and radiation therapy. PARP enzymes are activated by DNA breaks and have been implicated in the repair of DNA single-strand breaks (SSB).

2-[[3-[5-Phenyl-4-(trifluoromethyl)-1,2-oxazol-3-yl]-4,5-dihydrobenzo[g][1,2]benzoxazol-7-yl]methyl]-2,5,7-triazaspiro[3.4]octane-6,8-dione (BioCAD00000679466)
Formula: C27H20F3N5O4 (Exact Mass: 535.1467)

4-[[4-(Benzylideneamino)phenyl]methyl]-3-[2-(2,4-dichlorophenyl)-4-oxo-1-propylazetidin-3-yl]-1,3-oxazolidin-2-one (BioCAD00000690484)
Formula: C29H27Cl2N3O3 (Exact Mass: 535.1429)

2,6-dichloro-N-[2-[[3-[1-[4-(2-methylpropyl)phenyl]ethyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]phenyl]aniline (BioCAD00000700965)
Formula: C28H27Cl2N5S (Exact Mass: 535.1364)

2H-Quinolizine, octahydro-1-[[(triphenylstannyl)thio]methyl]-, (1R,9aR)- (BioCAD00000704057)
Formula: C28H33NSSn (Exact Mass: 535.1356)

Halofantrine Hydrochloride (BioCAD00000707051)
Formula: C26H31Cl3F3NO (Exact Mass: 535.1423)

CID 71568894 (BioCAD00000754262)
Formula: C30H22ClN5O3 (Exact Mass: 535.1411)

methyl 3-(4-(2-amino-2-oxoethoxy)-3-methoxyphenyl)-3-(5,6,7-trihydroxy-4-oxo-2-phenyl-4H-chromen-8-yl)propanoate (BioCAD00001595894)
Formula: C28H25NO10 (Exact Mass: 535.1478)

AKOS030487701 (BioCAD00001611792)
Formula: C29H26ClNO7 (Exact Mass: 535.1398)

2-[2-(4-chlorophenyl)ethyl]-8-(3,4,5-trimethoxyphenyl)-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one (BioCAD00001734405)
Formula: C29H26ClNO7 (Exact Mass: 535.1398)

plant natural products
(2S,3R,4S,5R)-2-[(3R,4R,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)chromenylium-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxyoxane-3,4,5-triol (BioCAD00001765382)
Formula: [C25H27O13]+ (Exact Mass: 535.1452)

(BioCAD00001777874)
Formula: C29H26ClNO7 (Exact Mass: 535.1398)

NCGC00401256-01 (BioCAD00001927314)
Formula: C23H29N5O4S3 (Exact Mass: 535.1382)