CHEBI:78347 - 3-linalylflaviolin-2-olate

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ChEBI Name 3-linalylflaviolin-2-olate
ChEBI ID CHEBI:78347
Definition An 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.).
Stars This entity has been manually annotated by the ChEBI Team.
Submitter KAX
Supplier Information
Download Molfile XML SDF
Formula C20H21O5
Net Charge -1
Average Mass 341.37830
Monoisotopic Mass 341.13945
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/p-1
InChIKey YLXGIQYXMIHMOL-UHFFFAOYSA-M
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-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 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
Synonyms Sources
3-linalylflaviolin UniProt
3-linalylflaviolin(1−) ChEBI
Manual Xref Database
CPD-16656 MetaCyc
View more database links
Citation Waiting for Citations Type Source
17543953 PubMed citation SUBMITTER
Last Modified
15 July 2014