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CHEBI:80479 - Cyanidin-3-O-(6''-O-malonyl-2''-O-glucuronyl)glucoside

Default Structure
ChEBI IDCHEBI:80479
ChEBI NameCyanidin-3-O-(6''-O-malonyl-2''-O-glucuronyl)glucoside
Stars
DownloadsMolfile
FormulaC30H31O20
Net Charge+1
Average Mass711.558
Monoisotopic Mass711.14032
SMILESO=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C30H30O20/c31-10-4-13(33)11-6-16(25(46-15(11)5-10)9-1-2-12(32)14(34)3-9)47-30-27(50-29-24(42)21(39)23(41)26(49-29)28(43)44)22(40)20(38)17(48-30)8-45-19(37)7-18(35)36/h1-6,17,20-24,26-27,29-30,38-42H,7-8H2,(H5-,31,32,33,34,35,36,43,44)/p+1/t17-,20-,21+,22+,23+,24-,26+,27-,29+,30-/m1/s1
InChIKeyQOHDMYMGZLODBT-HMYIHKNWSA-O
ChEBI Ontology
Outgoing Relation(s)
Cyanidin-3-O-(6''-O-malonyl-2''-O-glucuronyl)glucoside (CHEBI:80479) is a anthocyanidin glycoside (CHEBI:71583)
Manual XrefsDatabases
C16373KEGG COMPOUND