CHEBI:193098 - peonidin 3-O-β-D-galactoside betaine

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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 peonidin 3-O-β-D-galactoside betaine
ChEBI ID CHEBI:193098
ChEBI ASCII Name peonidin 3-O-beta-D-galactoside betaine
Definition Major microspecies at pH 7.3.
Stars This entity has been manually annotated by a third party.
Submitter Anne Morgat
Supplier Information
Download Molfile XML SDF
Formula C22H22O11
Net Charge 0
Average Mass 462.407
Monoisotopic Mass 462.11621
InChI InChI=1S/C22H22O11/c1-30-15-4-9(2-3-12(15)25)21-16(7-11-13(26)5-10(24)6-14(11)31-21)32-22-20(29)19(28)18(27)17(8-23)33-22/h2-7,17-20,22-23,27-29H,8H2,1H3,(H2-,24,25,26)/t17-,18+,19+,20-,22-/m1/s1
InChIKey ZZWPMFROUHHAKY-VRRLNDPFSA-N
SMILES C1=C(C=C2[O+]=C(C(=CC2=C1[O-])O[C@@H]3O[C@@H]([C@@H]([C@@H]([C@H]3O)O)O)CO)C4=CC(=C(O)C=C4)OC)O
ChEBI Ontology
Outgoing peonidin 3-O-β-D-galactoside betaine (CHEBI:193098) has functional parent peonidin(1−) (CHEBI:144779)
peonidin 3-O-β-D-galactoside betaine (CHEBI:193098) is a oxonium betaine (CHEBI:51978)
Synonym Source
peonidin 3-O-β-D-galactoside UniProt
Citation Waiting for Citations Type Source
35651780 PubMed citation SUBMITTER