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CHEBI:144781 - malvidin(1−)

ChEBI IDCHEBI:144781
ChEBI Namemalvidin(1−)
Stars
ASCII Namemalvidin(1-)
DefinitionAn organic anion obtained by selective deprotonation of the 3- and 5-hydroxy groups of malvidin; major species at pH 7.3.
Last Modified7 September 2022
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC17H13O7
Net Charge-1
Average Mass329.284
Monoisotopic Mass329.06668
SMILESCOc1cc(-c2[o+]c3cc(O)cc([O-])c3cc2[O-])cc(OC)c1O
InChIInChI=1S/C17H14O7/c1-22-14-3-8(4-15(23-2)16(14)21)17-12(20)7-10-11(19)5-9(18)6-13(10)24-17/h3-7H,1-2H3,(H3-,18,19,20,21)/p-1
InChIKeyKZMACGJDUUWFCH-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
malvidin(1−) (CHEBI:144781) is a anthocyanidin betaine (CHEBI:143576)
malvidin(1−) (CHEBI:144781) is a organic anion (CHEBI:25696)
malvidin(1−) (CHEBI:144781) is conjugate base of malvidin (CHEBI:6674)
Incoming Relation(s)
malvidin 3-O-β-D-galactoside betaine (CHEBI:193100) has functional parent malvidin(1−) (CHEBI:144781)
malvidin (CHEBI:6674) is conjugate acid of malvidin(1−) (CHEBI:144781)
IUPAC Name 
7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromenium-3,5-bis(olate)
Synonym  Source
7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-1-benzopyran-1-ium-3,5-bis(olate)IUPAC
UniProt Name  Source
malvidinUniProt
Manual XrefsDatabases
CPD-15051MetaCyc