EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:31467 - descarbamoylnovobiocin

ChEBI IDCHEBI:31467
ChEBI Namedescarbamoylnovobiocin
Stars
DefinitionA hydroxycoumarin that is novobiocin lacking the carbamoyl group from position 3 on the hexose ring.
Last Modified7 June 2013
DownloadsMolfile
FormulaC30H35NO10
Net Charge0
Average Mass569.607
Monoisotopic Mass569.22610
SMILESCO[C@@H]1[C@@H](O)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C
InChIInChI=1S/C30H35NO10/c1-14(2)7-8-16-13-17(9-11-19(16)32)27(36)31-21-22(33)18-10-12-20(15(3)25(18)40-28(21)37)39-29-24(35)23(34)26(38-6)30(4,5)41-29/h7,9-13,23-24,26,29,32-35H,8H2,1-6H3,(H,31,36)/t23-,24+,26+,29+/m0/s1
InChIKeyUZHGFJZFJRMSOS-NANZAVOOSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
descarbamoylnovobiocin (CHEBI:31467) has role metabolite (CHEBI:25212)
descarbamoylnovobiocin (CHEBI:31467) is a benzamides (CHEBI:22702)
descarbamoylnovobiocin (CHEBI:31467) is a hexoside (CHEBI:35313)
descarbamoylnovobiocin (CHEBI:31467) is a hydroxycoumarin (CHEBI:37912)
descarbamoylnovobiocin (CHEBI:31467) is a monosaccharide derivative (CHEBI:63367)
descarbamoylnovobiocin (CHEBI:31467) is conjugate acid of descarbamoylnovobiocin(1−) (CHEBI:73955)
Incoming Relation(s)
descarbamoylnovobiocin(1−) (CHEBI:73955) is conjugate base of descarbamoylnovobiocin (CHEBI:31467)
IUPAC Name 
N-{7-[(6-deoxy-5-methyl-4-O-methyl-β-D-gulopyranosyl)oxy]-4-hydroxy-8-methyl-2-oxo-2H-chromen-3-yl}-4-hydroxy-3-(3-methylbut-2-en-1-yl)benzamide
Synonyms  Source
DescarbamoylnovobiocinKEGG COMPOUND
decarbamoylnovobiocinChEBI
Manual XrefsDatabases
C12476KEGG COMPOUND
Registry NumbersSources
Reaxys:6552957Reaxys
CAS:10544-02-2ChemIDplus
Citations