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CHEBI:212564 - Desmethylnovobiocin

ChEBI IDCHEBI:212564
ChEBI NameDesmethylnovobiocin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H34N2O11
Net Charge0
Average Mass598.605
Monoisotopic Mass598.21626
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)ccc1O
InChIInChI=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
InChIKeySKDOTZXKWCZSIK-BOFKSZNZSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies RJA2961 (ncbitaxon:1009462) - PubMed (24130838)
ChEBI Ontology
Outgoing Relation(s)
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
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