CHEBI:77946 - anthocyanidin 3-O-sophoroside betaine

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ChEBI Name anthocyanidin 3-O-sophoroside betaine ChEBI ID CHEBI:77946 ChEBI ASCII Name anthocyanidin 3-O-sophoroside betaine Definition An oxonium betaine obtained by deprotonation of the 5-hydroxy group of any anthocyanidin 3-O-sophoroside. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). Stars This entity has been manually annotated by the ChEBI Team. Submitter KAX Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C27H28O15R2 Net Charge 0 Average Mass (excl. R groups) 592.503 Monoisotopic Mass (excl. R groups) 592.14282 SMILES OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2Oc2cc3c([O-])cc(O)cc3[o+]c2-c2cc([*])c(O)c([*])c2)[C@H](O)[C@@H](O)[C@@H]1O ChEBI Ontology Outgoing anthocyanidin 3-O-sophoroside betaine (CHEBI:77946) is a oxonium betaine (CHEBI:51978) anthocyanidin 3-O-sophoroside betaine (CHEBI:77946) is conjugate base of anthocyanidin 3-O-sophoroside (CHEBI:71509) Incoming anthocyanidin 3-O-sophoroside (CHEBI:71509) is conjugate acid of anthocyanidin 3-O-sophoroside betaine (CHEBI:77946) Synonym Source an anthocyanidin 3-O-sophoroside UniProt Last Modified 10 June 2014