CHEBI:147427 - petunidin 3-(6''-acetylglucoside)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name petunidin 3-(6''-acetylglucoside)
ChEBI ID CHEBI:147427
Stars This entity has been manually annotated by a third party.
Submitter Mark Williams
Supplier Information
Download Molfile XML SDF
Formula C24H25O13
Net Charge +1
Average Mass 521.450
Monoisotopic Mass 521.12897
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
SMILES O1C([C@@H](O)C(O)C(O)[C@@H]1OC=2C(=[O+]C=3C(C2)=C(O)C=C(O)C3)C=4C=C(OC)C(O)=C(O)C4)COC(=O)C
Metabolite of Species Details
Vitis vinifera (NCBI:txid29760) Found in Wine See: PubMed
ChEBI Ontology
Outgoing petunidin 3-(6''-acetylglucoside) (CHEBI:147427) is a anthocyanin cation (CHEBI:35218)
petunidin 3-(6''-acetylglucoside) (CHEBI:147427) is a aromatic ether (CHEBI:35618)
Last Modified
20 March 2024