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CHEBI:212557 - Desmethyldescarbamoyl-5-hydroxynovobiocin

ChEBI IDCHEBI:212557
ChEBI NameDesmethyldescarbamoyl-5-hydroxynovobiocin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H33NO11
Net Charge0
Average Mass571.579
Monoisotopic Mass571.20536
SMILESCC(C)=CCc1cc(C(=O)Nc2c(O)c3ccc(O[C@@H]4OC(C)(C)[C@H](O)[C@@H](O)[C@H]4O)c(C)c3oc2=O)cc(O)c1O
InChIInChI=1S/C29H33NO11/c1-12(2)6-7-14-10-15(11-17(31)20(14)32)26(37)30-19-21(33)16-8-9-18(13(3)24(16)40-27(19)38)39-28-23(35)22(34)25(36)29(4,5)41-28/h6,8-11,22-23,25,28,31-36H,7H2,1-5H3,(H,30,37)/t22-,23+,25+,28+/m0/s1
InChIKeyLKYDCHRDOUYSKT-ZJTSJXPUSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies RJA2961 (ncbitaxon:1009462) - PubMed (24130838)
ChEBI Ontology
Outgoing Relation(s)
Desmethyldescarbamoyl-5-hydroxynovobiocin (CHEBI:212557) is a coumarins (CHEBI:23403)
Desmethyldescarbamoyl-5-hydroxynovobiocin (CHEBI:212557) is a glycoside (CHEBI:24400)
IUPAC Name 
3,4-dihydroxy-N-[4-hydroxy-8-methyl-2-oxo-7-[(2R,3R,4R,5R)-3,4,5-trihydroxy-6,6-dimethyloxan-2-yl]oxychromen-3-yl]-5-(3-methylbut-2-enyl)benzamide
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