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CHEBI:147424 - carboxypyranomalvidin 3-glucoside

ChEBI IDCHEBI:147424
ChEBI Namecarboxypyranomalvidin 3-glucoside
Stars
Submittermwilliams
DownloadsMolfile
FormulaC26H25O14
Net Charge+1
Average Mass561.472
Monoisotopic Mass561.12388
SMILESCOc1cc(-c2oc3cc(=[OH+])cc4oc(O)c(C=O)c(c2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c43)cc(OC)c1O
InChIInChI=1S/C26H24O14/c1-35-14-3-9(4-15(36-2)19(14)30)23-24(40-26-22(33)21(32)20(31)16(8-28)39-26)17-11(7-27)25(34)38-13-6-10(29)5-12(37-23)18(13)17/h3-7,16,20-22,26,28,30-34H,8H2,1-2H3/p+1/t16-,20-,21+,22-,26+/m1/s1
InChIKeyHSMQGFKDKCAJDR-DMRYIZGCSA-O
Species of MetaboliteComponentSourceComments
Vitis vinifera (ncbitaxon:29760) Wine (NCIT:C66822) PubMed (22662221)
ChEBI Ontology
Outgoing Relation(s)
carboxypyranomalvidin 3-glucoside (CHEBI:147424) is a anthocyanin (CHEBI:38697)