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CHEBI:201851 - Dihydronovobiocin

ChEBI IDCHEBI:201851
ChEBI NameDihydronovobiocin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC31H38N2O11
Net Charge0
Average Mass614.648
Monoisotopic Mass614.24756
SMILESCOC1C(OC(N)=O)C(O)C(Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CCC(C)C)c4)c(=O)oc3c2C)OC1(C)C
InChIInChI=1S/C31H38N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h9-14,23,25-26,29,34-36H,7-8H2,1-6H3,(H2,32,39)(H,33,37)
InChIKeyJJYCENBZIMIWTM-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Dihydronovobiocin (CHEBI:201851) is a coumarins (CHEBI:23403)
Dihydronovobiocin (CHEBI:201851) is a glycoside (CHEBI:24400)
IUPAC Name 
[(3S,4S,5R,6R)-5-hydroxy-6-[4-hydroxy-3-[[4-hydroxy-3-(3-methylbutyl)benzoyl]amino]-8-methyl-2-oxochromen-7-yl]oxy-3-methoxy-2,2-dimethyloxan-4-yl] carbamate
Manual XrefsDatabases
107561941ChemSpider