CHEBI:201851 - Dihydronovobiocin

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Dihydronovobiocin
ChEBI ID CHEBI:201851
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C31H38N2O11
Net Charge 0
Average Mass 614.648
Monoisotopic Mass 614.24756
InChI InChI=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)
InChIKey JJYCENBZIMIWTM-UHFFFAOYSA-N
SMILES O=C1OC2=C(C=CC(=C2C)OC3OC(C(OC)C(C3O)OC(=O)N)(C)C)C(=C1NC(=O)C4=CC(=C(O)C=C4)CCC(C)C)O
ChEBI Ontology
Outgoing 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 Xref Database
107561941 ChemSpider
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