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CHEBI:73953 - novobiocic acid(1−)

Default Structure
ChEBI IDCHEBI:73953
ChEBI Namenovobiocic acid(1−)
Stars
ASCII Namenovobiocic acid(1-)
DefinitionAn organic anion obtained by selective deprotonation of the 4-hydroxy group on the chromene ring of novobiocic acid.
Last Modified6 June 2013
SubmitterKAX
DownloadsMolfile
FormulaC22H20NO6
Net Charge-1
Average Mass394.403
Monoisotopic Mass394.12961
SMILESCC(C)=CCc1cc(C(=O)Nc2c([O-])c3ccc(O)c(C)c3oc2=O)ccc1O
InChIInChI=1S/C22H21NO6/c1-11(2)4-5-13-10-14(6-8-17(13)25)21(27)23-18-19(26)15-7-9-16(24)12(3)20(15)29-22(18)28/h4,6-10,24-26H,5H2,1-3H3,(H,23,27)/p-1
InChIKeyNMCFFEJWADWZTI-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
novobiocic acid(1−) (CHEBI:73953) is a organic anion (CHEBI:25696)
novobiocic acid(1−) (CHEBI:73953) is conjugate base of novobiocic acid (CHEBI:31923)
Incoming Relation(s)
novobiocic acid (CHEBI:31923) is conjugate acid of novobiocic acid(1−) (CHEBI:73953)
IUPAC Name 
7-hydroxy-3-{[4-hydroxy-3-(3-methylbut-2-en-1-yl)benzoyl]amino}-8-methyl-2-oxo-2H-chromen-4-olate
Synonym  Source
novobiocic acid anionChEBI
UniProt Name  Source
novobiocic acidUniProt
Citations