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CHEBI:71519 - anthocyanidin 3-O-[2-O-(4-coumaroyl)-α-L-rhamnosyl-(1→6)-β-D-glucoside] betaine

ChEBI IDCHEBI:71519
ChEBI Nameanthocyanidin 3-O-[2-O-(4-coumaroyl)-α-L-rhamnosyl-(1→6)-β-D-glucoside] betaine
Stars
ASCII Nameanthocyanidin 3-O-[2-O-(4-coumaroyl)-alpha-L-rhamnosyl-(1->6)-beta-D-glucoside] betaine
DefinitionAn oxonium betaine arising from regioselective deprotonation of the 5-hydroxy group of any anthocyanidin 3-O-[2-O-(4-coumaroyl)-α-L-rhamnosyl-(1→6)-β-D-glucoside] (R groups may be H).
Last Modified4 December 2019
SubmitterKAX
DownloadsMolfile
FormulaC36H34O16R2
Net Charge0
Average Mass (excl. R groups)722.647
Monoisotopic Mass (excl. R groups)722.18469
SMILES*c1cc(-c2[o+]c3cc(O)cc([O-])c3cc2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](OC(=O)C=Cc4ccc(O)cc4)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)cc(*)c1O
ChEBI Ontology
Outgoing Relation(s)
anthocyanidin 3-O-[2-O-(4-coumaroyl)-α-L-rhamnosyl-(1→6)-β-D-glucoside] betaine (CHEBI:71519) is a oxonium betaine (CHEBI:51978)
anthocyanidin 3-O-[2-O-(4-coumaroyl)-α-L-rhamnosyl-(1→6)-β-D-glucoside] betaine (CHEBI:71519) is conjugate base of anthocyanidin 3-O-[2-O-(4-coumaroyl)-α-L-rhamnosyl-(1→6)-β-D-glucoside] (CHEBI:71592)
Incoming Relation(s)
anthocyanidin 3-O-[2-O-(4-coumaroyl)-α-L-rhamnosyl-(1→6)-β-D-glucoside] (CHEBI:71592) is conjugate acid of anthocyanidin 3-O-[2-O-(4-coumaroyl)-α-L-rhamnosyl-(1→6)-β-D-glucoside] betaine (CHEBI:71519)
Synonym  Source
anthocyanidin 3-O-[2-O-(4-coumaroyl)-α-L-rhamnosyl-(1→6)-β-D-glucoside] betainesChEBI
UniProt Name  Source
an anthocyanidin 3-O-[2-O-(4-coumaroyl)-α-L-rhamnosyl-(1→6)-β-D-glucoside]UniProt
Manual XrefsDatabases
Anthocyanidin-coum-rham-D-glucosidesMetaCyc