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CHEBI:147427 - petunidin 3-(6''-acetylglucoside)
| Formula | C24H25O13 |
| Net Charge | +1 |
| Average Mass | 521.451 |
| Monoisotopic Mass | 521.12897 |
| SMILES | COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O[C@@H]2OC(COC(C)=O)[C@@H](O)C(O)C2O)cc(O)c1O |
| InChI | InChI=1S/C24H24O13/c1-9(25)34-8-18-20(30)21(31)22(32)24(37-18)36-17-7-12-13(27)5-11(26)6-15(12)35-23(17)10-3-14(28)19(29)16(4-10)33-2/h3-7,18,20-22,24,30-32H,8H2,1-2H3,(H3-,26,27,28,29)/p+1/t18?,20-,21?,22?,24-/m1/s1 |
| InChIKey | GPUBWXUQPURXOQ-FUQWYEMFSA-O |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Vitis vinifera (ncbitaxon:29760) | Wine (NCIT:C66822) | PubMed (22662221) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| petunidin 3-(6''-acetylglucoside) (CHEBI:147427) is a anthocyanin cation (CHEBI:35218) |
| petunidin 3-(6''-acetylglucoside) (CHEBI:147427) is a aromatic ether (CHEBI:35618) |