Metabolite List

metabolites which its exact mass nearly 532.1217 with tolerance error 0.01 da.

(-)-Maackiain-3-O-glucosyl-6'-O-malonate (BioCAD00000000069)
Formula: C25H24O13 (Exact Mass: 532.1217)

plant natural products marine natural products
Biochanin A 7-O-(6-O-malonylβD-glucoside) (BioCAD00000007462)
Formula: C25H24O13 (Exact Mass: 532.1217)

Biochanin A 7-(6-malonylglucoside) is found in herbs and spices. Biochanin A 7-(6-malonylglucoside) is isolated from leaves of Trifolium pratense (red clover

plant natural products
Malonylglycitin (BioCAD00000013689)
Formula: C25H24O13 (Exact Mass: 532.1217)

6''-O-Malonylglycitin is found in miso. 6''-O-Malonylglycitin is present in soy foods. Potential nutriceutical.

plant natural products
2',6'-Diacetylorientin (BioCAD00000034989)
Formula: C25H24O13 (Exact Mass: 532.1217)

2'',6''-Diacetylorientin is found in herbs and spices. 2'',6''-Diacetylorientin is isolated from Rumex acetosa (sorrel).

Napyradiomycin B4 (BioCAD00000588707)
Formula: C25H31Cl3O6 (Exact Mass: 532.1186)

microbial natural products
Dethiosecoemestrin (BioCAD00000595256)
Formula: C27H20N2O10 (Exact Mass: 532.1118)

Dethiosecoemestrin is an aromatic ether. Dethiosecoemestrin has been reported in Aspergillus foveolatus and Aspergillus striatus with data available.

2,4-difluoro-N-[2-methoxy-5-[4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidin-6-yl]pyridin-3-yl]benzenesulfonamide (BioCAD00000679623)
Formula: C23H22F2N6O3S2 (Exact Mass: 532.1163)

(3R)-3-amino-3-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-N-[2-(carbamoylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-N-methylpropanamide;trifluoromethanesulfonic acid (BioCAD00000712225)
Formula: C15H23F3N8O6S2 (Exact Mass: 532.1134)

Madura-ureido-lacton (BioCAD00000723773)
Formula: C27H20N2O10 (Exact Mass: 532.1118)

[(5aS,6S)-2-methyl-1,3,4-trioxo-5a,6-dihydrooxepino[1,2]pyrrolo[4,5-c]pyrazin-6-yl] 3-(5-formyl-2-hydroxyphenoxy)-4-methoxybenzoate [IIN-based: Match] (BioCAD00000790751)
Formula: C27H20N2O10 (Exact Mass: 532.1118)

[(5aS,6S)-2-methyl-1,3,4-trioxo-5a,6-dihydrooxepino[1,2]pyrrolo[4,5-c]pyrazin-6-yl] 3-(5-formyl-2-hydroxyphenoxy)-4-methoxybenzoate [IIN-based on: CCMSLIB00000848815] (BioCAD00000790752)
Formula: C27H20N2O10 (Exact Mass: 532.1118)

[(5aS,6S)-2-methyl-1,3,4-trioxo-5a,6-dihydrooxepino[1,2]pyrrolo[4,5-c]pyrazin-6-yl] 3-(5-formyl-2-hydroxyphenoxy)-4-methoxybenzoate (BioCAD00000794626)
Formula: C27H20N2O10 (Exact Mass: 532.1118)

1-[3-(aminomethyl)phenyl]-N-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide (BioCAD00001355225)
Formula: C25H20F4N4O3S (Exact Mass: 532.1192)

Sulindac glucuronide (BioCAD00001522695)
Formula: C26H25FO9S (Exact Mass: 532.1203)

Anti-Inflammatory, Analgesic, Antipyretic, NSAID Metabolite of Sulindac Dollery, Colin Therapeutic Drugs, 2nd Ed. 1999 p. S145

AKOS030498506 (BioCAD00001595506)
Formula: C27H20N2O10 (Exact Mass: 532.1118)

(3~{R},4~{a}~{S},10~{a}~{S})-3,4~{a}-dichloro-10~{a}-[[(1~{R},3~{S},6~{S})-3-chloro-6-hydroxy-2,2,6-trimethyl-cyclohexyl]methyl]-6,8-dihydroxy-2,2-dimethyl-3,4-dihydrobenzo[g]chromene-5,10-dione (BioCAD00001851596)
Formula: C25H31Cl3O6 (Exact Mass: 532.1186)

CNP0323465.0 (BioCAD00001903451)
Formula: C32H20O8 (Exact Mass: 532.1158)

(5aS,6S)-2-Methyl-1,3,4-trioxo-1,2,3,4,5a,6-hexahydrooxepino[3',4':4,5]pyrrolo[1,2-a]pyrazin-6-yl 3-(5-formyl-2-hydroxyphenoxy)-4-methoxybenzoate (BioCAD00001995369)
Formula: C27H20N2O10 (Exact Mass: 532.1118)

ACMC-20dhs9 (BioCAD00002038082)
Formula: C25H31Cl3O6 (Exact Mass: 532.1186)

surinamensin (BioCAD00002091121)
Formula: C32H20O8 (Exact Mass: 532.1158)