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CHEBI:221116 - Manumycin B

ChEBI IDCHEBI:221116
ChEBI NameManumycin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H34N2O7
Net Charge0
Average Mass510.587
Monoisotopic Mass510.23660
SMILESCCCC[C@H](C)/C=C(\C)C(=O)NC1=C[C@@](O)(/C=C/C=C/C=C/C(=O)NC2=C(O)CCC2=O)[C@@H]2O[C@@H]2C1=O
InChIInChI=1S/C28H34N2O7/c1-4-5-10-17(2)15-18(3)27(35)29-19-16-28(36,26-25(37-26)24(19)34)14-9-7-6-8-11-22(33)30-23-20(31)12-13-21(23)32/h6-9,11,14-17,25-26,31,36H,4-5,10,12-13H2,1-3H3,(H,29,35)(H,30,33)/b7-6+,11-8+,14-9+,18-15+/t17-,25+,26+,28-/m0/s1
InChIKeyZGICGDCGECBVTD-KOWWZHDJSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1021/jo00076a015)
ChEBI Ontology
Outgoing Relation(s)
Manumycin B (CHEBI:221116) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(E,4S)-N-[(1S,5S,6R)-5-hydroxy-5-[(1E,3E,5E)-7-[(2-hydroxy-5-oxocyclopenten-1-yl)amino]-7-oxohepta-1,3,5-trienyl]-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]-2,4-dimethyloct-2-enamide
Manual XrefsDatabases
78438217ChemSpider