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CHEBI:78347 - 3-linalylflaviolin-2-olate

ChEBI IDCHEBI:78347
ChEBI Name3-linalylflaviolin-2-olate
Stars
DefinitionAn organic anion that is the conjugate base of 3-linalylflaviolin, obtained by deprotonation of the 2-hydroxy group. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Last Modified15 July 2014
SubmitterKAX
DownloadsMolfile
FormulaC20H21O5
Net Charge-1
Average Mass341.383
Monoisotopic Mass341.13945
SMILESC=CC(C)(CCC=C(C)C)C1=C([O-])C(=O)c2cc(O)cc(O)c2C1=O
InChIInChI=1S/C20H22O5/c1-5-20(4,8-6-7-11(2)3)16-18(24)15-13(17(23)19(16)25)9-12(21)10-14(15)22/h5,7,9-10,21-22,25H,1,6,8H2,2-4H3/p-1
InChIKeyYLXGIQYXMIHMOL-UHFFFAOYSA-M
Roles Classification
Biological Role:
bacterial xenobiotic metabolite  Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.
ChEBI Ontology
Outgoing Relation(s)
3-linalylflaviolin-2-olate (CHEBI:78347) has role bacterial xenobiotic metabolite (CHEBI:76976)
3-linalylflaviolin-2-olate (CHEBI:78347) is a organic anion (CHEBI:25696)
3-linalylflaviolin-2-olate (CHEBI:78347) is conjugate base of 3-linalylflaviolin (CHEBI:79196)
Incoming Relation(s)
3-linalylflaviolin (CHEBI:79196) is conjugate acid of 3-linalylflaviolin-2-olate (CHEBI:78347)
IUPAC Name 
3-(3,7-dimethylocta-1,6-dien-3-yl)-5,7-dihydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-olate
Synonym  Source
3-linalylflaviolin(1−)ChEBI
UniProt Name  Source
3-linalylflaviolinUniProt
Manual XrefsDatabases
CPD-16656MetaCyc
Citations