CHEBI:212564 - Desmethylnovobiocin

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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 Desmethylnovobiocin
ChEBI ID CHEBI:212564
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 C30H34N2O11
Net Charge 0
Average Mass 598.605
Monoisotopic Mass 598.21626
InChI InChI=1S/C30H34N2O11/c1-13(2)6-7-15-12-16(8-10-18(15)33)26(37)32-20-21(34)17-9-11-19(14(3)23(17)41-27(20)38)40-28-22(35)24(42-29(31)39)25(36)30(4,5)43-28/h6,8-12,22,24-25,28,33-36H,7H2,1-5H3,(H2,31,39)(H,32,37)/t22-,24+,25-,28-/m1/s1
InChIKey SKDOTZXKWCZSIK-BOFKSZNZSA-N
SMILES O=C1OC2=C(C=CC(=C2C)O[C@@H]3OC([C@H](O)[C@H]([C@H]3O)OC(=O)N)(C)C)C(=C1NC(=O)C4=CC(=C(O)C=C4)CC=C(C)C)O
Metabolite of Species Details
Streptomycesspecies RJA2961 (NCBI:txid1009462) See: PubMed
ChEBI Ontology
Outgoing Desmethylnovobiocin (CHEBI:212564) is a coumarins (CHEBI:23403)
Desmethylnovobiocin (CHEBI:212564) is a glycoside (CHEBI:24400)
IUPAC Name
[(3R,4R,5R,6R)-3,5-dihydroxy-6-[4-hydroxy-3-[[4-hydroxy-3-(3-methylbut-2-enyl)benzoyl]amino]-8-methyl-2-oxochromen-7-yl]oxy-2,2-dimethyloxan-4-yl] carbamate
Manual Xref Database
59702199 ChemSpider
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