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CHEBI:212545 - Desmethyl-5-hydroxynovobiocin

ChEBI IDCHEBI:212545
ChEBI NameDesmethyl-5-hydroxynovobiocin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H34N2O12
Net Charge0
Average Mass614.604
Monoisotopic Mass614.21117
SMILESCC(C)=CCc1cc(C(=O)Nc2c(O)c3ccc(O[C@@H]4OC(C)(C)[C@H](O)[C@@H](OC(N)=O)[C@H]4O)c(C)c3oc2=O)cc(O)c1O
InChIInChI=1S/C30H34N2O12/c1-12(2)6-7-14-10-15(11-17(33)20(14)34)26(38)32-19-21(35)16-8-9-18(13(3)23(16)42-27(19)39)41-28-22(36)24(43-29(31)40)25(37)30(4,5)44-28/h6,8-11,22,24-25,28,33-37H,7H2,1-5H3,(H2,31,40)(H,32,38)/t22-,24+,25-,28-/m1/s1
InChIKeyJTTISVWBARQIRG-BOFKSZNZSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies RJA2961 (ncbitaxon:1009462) - PubMed (24130838)
ChEBI Ontology
Outgoing Relation(s)
Desmethyl-5-hydroxynovobiocin (CHEBI:212545) is a coumarins (CHEBI:23403)
Desmethyl-5-hydroxynovobiocin (CHEBI:212545) is a glycoside (CHEBI:24400)
IUPAC Name 
[(3R,4R,5R,6R)-6-[3-[[3,4-dihydroxy-5-(3-methylbut-2-enyl)benzoyl]amino]-4-hydroxy-8-methyl-2-oxochromen-7-yl]oxy-3,5-dihydroxy-2,2-dimethyloxan-4-yl] carbamate