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 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search 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