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CHEBI:210214 - Manumycin E

ChEBI IDCHEBI:210214
ChEBI NameManumycin E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H34N2O7
Net Charge0
Average Mass534.609
Monoisotopic Mass534.23660
SMILESCC(C)CC/C=C/C=C/C=C/C(=O)NC1=C[C@@](O)(/C=C/C=C/C=C/C(=O)NC2=C(O)CCC2=O)C2OC2C1=O
InChIInChI=1S/C30H34N2O7/c1-20(2)13-9-5-3-4-6-10-14-24(35)31-21-19-30(38,29-28(39-29)27(21)37)18-12-8-7-11-15-25(36)32-26-22(33)16-17-23(26)34/h3-8,10-12,14-15,18-20,28-29,33,38H,9,13,16-17H2,1-2H3,(H,31,35)(H,32,36)/b5-3+,6-4+,8-7+,14-10+,15-11+,18-12+/t28?,29?,30-/m0/s1
InChIKeyVVOBNOKKAUOIJN-BZAPOFDNSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (8175485)
ChEBI Ontology
Outgoing Relation(s)
Manumycin E (CHEBI:210214) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(2E,4E,6E)-N-[(5S)-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]-10-methylundeca-2,4,6-trienamide
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8500296ChemSpider