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CHEBI:185975 - 3,4,5-trihydroxy-6-{[4-oxo-1-(5,6,7-trimethoxy-4-oxo-4H-chromen-2-yl)cyclohexa-2,5-dien-1-yl]oxy}oxane-2-carboxylic acid

ChEBI IDCHEBI:185975
ChEBI Name3,4,5-trihydroxy-6-{[4-oxo-1-(5,6,7-trimethoxy-4-oxo-4H-chromen-2-yl)cyclohexa-2,5-dien-1-yl]oxy}oxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H24O13
Net Charge0
Average Mass520.443
Monoisotopic Mass520.12169
SMILESCOc1cc2oc(C3(OC4OC(C(=O)O)C(O)C(O)C4O)C=CC(=O)C=C3)cc(=O)c2c(OC)c1OC
InChIInChI=1S/C24H24O13/c1-32-13-9-12-15(20(34-3)19(13)33-2)11(26)8-14(35-12)24(6-4-10(25)5-7-24)37-23-18(29)16(27)17(28)21(36-23)22(30)31/h4-9,16-18,21,23,27-29H,1-3H3,(H,30,31)
InChIKeyKZPKMAPNPUSXJQ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
3,4,5-trihydroxy-6-{[4-oxo-1-(5,6,7-trimethoxy-4-oxo-4H-chromen-2-yl)cyclohexa-2,5-dien-1-yl]oxy}oxane-2-carboxylic acid (CHEBI:185975) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
3,4,5-trihydroxy-6-[4-oxo-1-(5,6,7-trimethoxy-4-oxochromen-2-yl)cyclohexa-2,5-dien-1-yl]oxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0128593HMDB
74886668ChemSpider