CHEBI:73953 - novobiocic acid(1−)

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ChEBI Name novobiocic acid(1−)
ChEBI ID CHEBI:73953
ChEBI ASCII Name novobiocic acid(1-)
Definition An organic anion obtained by selective deprotonation of the 4-hydroxy group on the chromene ring of novobiocic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter KAX
Supplier Information ChemicalBook:CB0428149, eMolecules:1935773, ZINC000000119983
Download Molfile XML SDF
Formula C22H20NO6
Net Charge -1
Average Mass 394.39730
Monoisotopic Mass 394.12961
InChI InChI=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
InChIKey NMCFFEJWADWZTI-UHFFFAOYSA-M
SMILES CC(C)=CCc1cc(ccc1O)C(=O)Nc1c([O-])c2ccc(O)c(C)c2oc1=O
ChEBI Ontology
Outgoing 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 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
Synonyms Sources
novobiocic acid UniProt
novobiocic acid anion ChEBI
Citation Type Source
16274243 PubMed citation SUBMITTER
Last Modified
06 June 2013