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CHEBI:187510 - (6-carboxy-3,4,5-trihydroxyoxan-2-yl)[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7H-chromen-7-ylidene]oxidanium

ChEBI IDCHEBI:187510
ChEBI Name(6-carboxy-3,4,5-trihydroxyoxan-2-yl)[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7H-chromen-7-ylidene]oxidanium
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H19O12
Net Charge+1
Average Mass463.371
Monoisotopic Mass463.08710
SMILESO=C(O)C1OC(Oc2cc(O)c3cc(O)c(-c4ccc(O)c(O)c4)[o+]c3c2)C(O)C(O)C1O
InChIInChI=1S/C21H18O12/c22-10-2-1-7(3-12(10)24)18-13(25)6-9-11(23)4-8(5-14(9)32-18)31-21-17(28)15(26)16(27)19(33-21)20(29)30/h1-6,15-17,19,21,26-28H,(H4-,22,23,24,25,29,30)/p+1
InChIKeyWFMALJKAGSGZTQ-UHFFFAOYSA-O
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
(6-carboxy-3,4,5-trihydroxyoxan-2-yl)[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7H-chromen-7-ylidene]oxidanium (CHEBI:187510) is a hydroxyflavonoid (CHEBI:71968)
IUPAC Name 
6-[2-(3,4-dihydroxyphenyl)-3,5-dihydroxychromenylium-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0125144HMDB