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CHEBI:79196 - 3-linalylflaviolin

ChEBI IDCHEBI:79196
ChEBI Name3-linalylflaviolin
Stars
DefinitionA hydroxy-1,4-naphthoquinone that is flaviolin in which the hydrogen at position 3 is replaced by a linalyl group.
Last Modified9 June 2016
SubmitterSteve
DownloadsMolfile
FormulaC20H22O5
Net Charge0
Average Mass342.391
Monoisotopic Mass342.14672
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
InChIKeyYLXGIQYXMIHMOL-UHFFFAOYSA-N
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 (CHEBI:79196) has functional parent flaviolin (CHEBI:42646)
3-linalylflaviolin (CHEBI:79196) has role bacterial xenobiotic metabolite (CHEBI:76976)
3-linalylflaviolin (CHEBI:79196) is a hydroxy-1,4-naphthoquinone (CHEBI:132157)
3-linalylflaviolin (CHEBI:79196) is a phenols (CHEBI:33853)
3-linalylflaviolin (CHEBI:79196) is conjugate acid of 3-linalylflaviolin-2-olate (CHEBI:78347)
Incoming Relation(s)
3-linalylflaviolin-2-olate (CHEBI:78347) is conjugate base of 3-linalylflaviolin (CHEBI:79196)
IUPAC Name 
3-(3,7-dimethylocta-1,6-dien-3-yl)-2,5,7-trihydroxy-1,4-naphthoquinone
Manual XrefsDatabases
CPD-16656MetaCyc
Citations