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CHEBI:147426 - pyranomalvidin 3-glucoside

ChEBI IDCHEBI:147426
ChEBI Namepyranomalvidin 3-glucoside
Stars
Submittermwilliams
DownloadsMolfile
FormulaC25H25O12
Net Charge+1
Average Mass517.463
Monoisotopic Mass517.13405
SMILESCOc1cc(-c2oc3cc(=[OH+])cc4occc(c2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c43)cc(OC)c1O
InChIInChI=1S/C25H24O12/c1-32-15-5-10(6-16(33-2)19(15)28)23-24(37-25-22(31)21(30)20(29)17(9-26)36-25)12-3-4-34-13-7-11(27)8-14(35-23)18(12)13/h3-8,17,20-22,25-26,28-31H,9H2,1-2H3/p+1/t17-,20-,21+,22-,25+/m1/s1
InChIKeyMQBZYHDAWXXFLB-FHBCLOHASA-O
Species of MetaboliteComponentSourceComments
Vitis vinifera (ncbitaxon:29760) Wine (NCIT:C66822) PubMed (22662221)
ChEBI Ontology
Outgoing Relation(s)
pyranomalvidin 3-glucoside (CHEBI:147426) is a anthocyanin (CHEBI:38697)