Description
IUPAC Name: (2S,3R,4S,5S)-2-[2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxyoxane-3,4,5-triol;chloride
InChI: InChI=1S/C21H20O11.ClH/c1-29-15-3-8(2-12(24)17(15)26)20-16(32-21-19(28)18(27)13(25)7-30-21)6-10-11(23)4-9(22)5-14(10)31-20;/h2-6,13,18-19,21,25,27-28H,7H2,1H3,(H3-,22,23,24,26);1H/t13-,18-,19+,21-;/m0./s1
InChIKey: DGLWRNZJQCODBU-IMBWBGPSSA-N
Canonical SMILES: COC1=CC(=CC(=C1O)O)C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(CO4)O)O)O)O)O.[Cl-]
Isomeric SMILES: COC1=CC(=CC(=C1O)O)C2=[O+]C3=CC(=CC(=C3C=C2O[C@H]4[C@@H]([C@H]([C@H](CO4)O)O)O)O)O.[Cl-]
Synonyms: Petunidin 3-arabinoside; Petunidin-3-o-arabinoside; UNII-BZ15OON7AW; BZ15OON7AW; Petunidin-3-O-arabinoside chloride; Petunidin 3-o-alpha-L-arabinopyranoside; 679429-94-8; 28500-03-0; …
Botanical Source: