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CHEBI:78588 - 6-linalyl-2-O,3-dimethylflaviolin-7-olate

ChEBI IDCHEBI:78588
ChEBI Name6-linalyl-2-O,3-dimethylflaviolin-7-olate
Stars
ASCII Name6-linalyl-2-O,3-dimethylflaviolin-7-olate
DefinitionAn organic anion that is the conjugate base of 6-linalyl-2-O,3-dimethylflaviolin, obtained by deprotonation of the 7-hydroxy group. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Last Modified4 August 2014
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC22H25O5
Net Charge-1
Average Mass369.437
Monoisotopic Mass369.17075
SMILESC=CC(C)(CCC=C(C)C)c1c([O-])cc2c(c1O)C(=O)C(C)=C(OC)C2=O
InChIInChI=1S/C22H26O5/c1-7-22(5,10-8-9-12(2)3)17-15(23)11-14-16(20(17)26)18(24)13(4)21(27-6)19(14)25/h7,9,11,23,26H,1,8,10H2,2-6H3/p-1
InChIKeyVOXTWWMONIHUIK-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
6-linalyl-2-O,3-dimethylflaviolin-7-olate (CHEBI:78588) is a organic anion (CHEBI:25696)
6-linalyl-2-O,3-dimethylflaviolin-7-olate (CHEBI:78588) is conjugate base of 6-linalyl-2-O,3-dimethylflaviolin (CHEBI:82610)
Incoming Relation(s)
6-linalyl-2-O,3-dimethylflaviolin (CHEBI:82610) is conjugate acid of 6-linalyl-2-O,3-dimethylflaviolin-7-olate (CHEBI:78588)
IUPAC Name 
3-(3,7-dimethylocta-1,6-dien-3-yl)-4-hydroxy-7-methoxy-6-methyl-5,8-dioxo-5,8-dihydronaphthalen-2-olate
Synonym  Source
6-(3,7-dimethylocta-1,6-dien-3-yl)-5-hydroxy-7-oxido-2-methoxy-3-methylnaphthalene-1,4-dioneSUBMITTER
UniProt Name  Source
6-linalyl-2-O,3-dimethylflaviolinUniProt
Manual XrefsDatabases
CPD-16659MetaCyc
Citations