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CHEBI:203716 - Novclobiocin 101

ChEBI IDCHEBI:203716
ChEBI NameNovclobiocin 101
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H38N2O11
Net Charge0
Average Mass662.692
Monoisotopic Mass662.24756
SMILESCO[C@@H]1[C@@H](OC(=O)c2ccc(C)n2)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2)OC1(C)C
InChIInChI=1S/C35H38N2O11/c1-17(2)7-9-19-15-20(10-14-24(19)38)31(41)37-26-27(39)22-12-11-21(16-25(22)46-33(26)43)45-34-28(40)29(30(44-6)35(4,5)48-34)47-32(42)23-13-8-18(3)36-23/h7-8,10-16,28-30,34,36,38-40H,9H2,1-6H3,(H,37,41)/t28-,29+,30-,34-/m1/s1
InChIKeyGMMYCBAAMDJSHV-YQQRZDPSSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1016/j.tet.2013.07.034)
ChEBI Ontology
Outgoing Relation(s)
Novclobiocin 101 (CHEBI:203716) is a coumarins (CHEBI:23403)
Novclobiocin 101 (CHEBI:203716) is a glycoside (CHEBI:24400)
IUPAC Name 
[(3R,4S,5R,6R)-5-hydroxy-6-[4-hydroxy-3-[[4-hydroxy-3-(3-methylbut-2-enyl)benzoyl]amino]-2-oxochromen-7-yl]oxy-3-methoxy-2,2-dimethyloxan-4-yl] 5-methyl-1H-pyrrole-2-carboxylate
Manual XrefsDatabases
78437046ChemSpider