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CHEBI:74005 - 8-desmethylnovobiocic acid

ChEBI IDCHEBI:74005
ChEBI Name8-desmethylnovobiocic acid
Stars
DefinitionA hydroxycoumarin that is novobiocic acid lacking the 8-methyl group.
Last Modified7 June 2013
SubmitterSteve
DownloadsMolfile
FormulaC21H19NO6
Net Charge0
Average Mass381.384
Monoisotopic Mass381.12124
SMILESCC(C)=CCc1cc(C(=O)Nc2c(O)c3ccc(O)cc3oc2=O)ccc1O
InChIInChI=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)
InChIKeyHVPRXGNWCQFXRR-UHFFFAOYSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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 acidChEBI
Citations