CHEBI:73957 - desmethyldescarbamoylnovobiocin(1−)

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ChEBI Name desmethyldescarbamoylnovobiocin(1−) ChEBI ID CHEBI:73957 ChEBI ASCII Name desmethyldescarbamoylnovobiocin(1-) Definition An organic anion obtained by selective deprotonation of the 4-hydroxy group on the chromene ring of desmethyldescarbamoylnovobiocin. 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 C29H32NO10 Net Charge -1 Average Mass 554.56510 Monoisotopic Mass 554.20317 InChI InChI=1S/C29H33NO10/c1-13(2)6-7-15-12-16(8-10-18(15)31)26(36)30-20-21(32)17-9-11-19(14(3)24(17)39-27(20)37)38-28-23(34)22(33)25(35)29(4,5)40-28/h6,8-12,22-23,25,28,31-35H,7H2,1-5H3,(H,30,36)/p-1/t22-,23+,25+,28+/m0/s1 InChIKey ZCIRPBAEIIAERP-ZJTSJXPUSA-M SMILES CC(C)=CCc1cc(ccc1O)C(=O)Nc1c([O-])c2ccc(O[C@@H]3OC(C)(C)[C@H](O)[C@@H](O)[C@H]3O)c(C)c2oc1=O ChEBI Ontology Outgoing desmethyldescarbamoylnovobiocin(1−) (CHEBI:73957) is a organic anion (CHEBI:25696) desmethyldescarbamoylnovobiocin(1−) (CHEBI:73957) is conjugate base of desmethyldescarbamoylnovobiocin (CHEBI:31469) Incoming desmethyldescarbamoylnovobiocin (CHEBI:31469) is conjugate acid of desmethyldescarbamoylnovobiocin(1−) (CHEBI:73957) IUPAC Name 3-{[4-hydroxy-3-(3-methylbut-2-en-1-yl)benzoyl]amino}-8-methyl-2-oxo-7-{[(2R,3R,4R,5R)-3,4,5-trihydroxy-6,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-2H-chromen-4-olate Synonyms Sources demethyldecarbamoylnovobiocin(1−) ChEBI desmethyldescarbamoylnovobiocin UniProt Citations Types Sources 14694473 PubMed citation SUBMITTER 19857499 PubMed citation SUBMITTER Last Modified 14 June 2013