CHEBI:74005 - 8-desmethylnovobiocic acid

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ChEBI Name 8-desmethylnovobiocic acid
ChEBI ID CHEBI:74005
Definition A hydroxycoumarin that is novobiocic acid lacking the 8-methyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C21H19NO6
Net Charge 0
Average Mass 381.37870
Monoisotopic Mass 381.12124
InChI InChI=1S/C21H19NO6/c1-11(2)3-4-12-9-13(5-8-16(12)24)20(26)22-18-19(25)15-7-6-14(23)10-17(15)28-21(18)27/h3,5-10,23-25H,4H2,1-2H3,(H,22,26)
InChIKey HVPRXGNWCQFXRR-UHFFFAOYSA-N
SMILES CC(C)=CCc1cc(ccc1O)C(=O)Nc1c(O)c2ccc(O)cc2oc1=O
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 8-desmethylnovobiocic acid (CHEBI:74005) has role metabolite (CHEBI:25212)
8-desmethylnovobiocic acid (CHEBI:74005) is a benzamides (CHEBI:22702)
8-desmethylnovobiocic acid (CHEBI:74005) is a hydroxycoumarin (CHEBI:37912)
8-desmethylnovobiocic acid (CHEBI:74005) is a polyphenol (CHEBI:26195)
8-desmethylnovobiocic acid (CHEBI:74005) is conjugate acid of 8-desmethylnovobiocic acid(1−) (CHEBI:73954)
Incoming 8-desmethylnovobiocic acid(1−) (CHEBI:73954) is conjugate base of 8-desmethylnovobiocic acid (CHEBI:74005)
IUPAC Name
N-(4,7-dihydroxy-2-oxo-2H-chromen-3-yl)-4-hydroxy-3-(3-methylbut-2-en-1-yl)benzamide
Synonym Source
8-demethylnovobiocic acid ChEBI
Citation Waiting for Citations Type Source
16274243 PubMed citation Europe PMC
Last Modified
07 June 2013