CHEBI:79196 - 3-linalylflaviolin

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ChEBI Name 3-linalylflaviolin
ChEBI ID CHEBI:79196
Definition A hydroxy-1,4-naphthoquinone that is flaviolin in which the hydrogen at position 3 is replaced by a linalyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C20H22O5
Net Charge 0
Average Mass 342.38570
Monoisotopic Mass 342.14672
InChI InChI=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
InChIKey YLXGIQYXMIHMOL-UHFFFAOYSA-N
SMILES CC(C)=CCCC(C)(C=C)C1=C(O)C(=O)c2cc(O)cc(O)c2C1=O
Roles Classification
Biological Role(s): bacterial xenobiotic metabolite
Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.
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ChEBI Ontology
Outgoing 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 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 Xref Database
CPD-16656 MetaCyc
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Citation Waiting for Citations Type Source
17543953 PubMed citation Europe PMC
Last Modified
09 June 2016