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CHEBI:73954 - 8-desmethylnovobiocic acid(1−)

ChEBI IDCHEBI:73954
ChEBI Name8-desmethylnovobiocic acid(1−)
Stars
ASCII Name8-desmethylnovobiocic acid(1-)
DefinitionAn organic anion obtained by selective deprotonation of the 4-hydroxy group on the chromene ring of 8-desmethylnovobiocic acid.
Last Modified14 June 2013
SubmitterKAX
DownloadsMolfile
FormulaC21H18NO6
Net Charge-1
Average Mass380.376
Monoisotopic Mass380.11396
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)/p-1
InChIKeyHVPRXGNWCQFXRR-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
8-desmethylnovobiocic acid(1−) (CHEBI:73954) is a organic anion (CHEBI:25696)
8-desmethylnovobiocic acid(1−) (CHEBI:73954) is conjugate base of 8-desmethylnovobiocic acid (CHEBI:74005)
Incoming Relation(s)
8-desmethylnovobiocic acid (CHEBI:74005) is conjugate acid of 8-desmethylnovobiocic acid(1−) (CHEBI:73954)
IUPAC Name 
7-hydroxy-3-{[4-hydroxy-3-(3-methylbut-2-en-1-yl)benzoyl]amino}-2-oxo-2H-chromen-4-olate
Synonyms  Source
8-desmethylnovobiocic acid anionChEBI
8-demethylnovobiocic acid(1−)ChEBI
UniProt Name  Source
8-desmethylnovobiocic acidUniProt
Citations