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CHEBI:202122 - Manumycin C

ChEBI IDCHEBI:202122
ChEBI NameManumycin C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H36N2O7
Net Charge0
Average Mass536.625
Monoisotopic Mass536.25225
SMILESCCCCC(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)[C@@H]2O[C@@H]2C1=O
InChIInChI=1S/C30H36N2O7/c1-4-5-10-19(2)17-20(3)12-15-25(36)31-21-18-30(38,29-28(39-29)27(21)37)16-9-7-6-8-11-24(35)32-26-22(33)13-14-23(26)34/h6-9,11-12,15-19,28-29,33,38H,4-5,10,13-14H2,1-3H3,(H,31,36)(H,32,35)/b7-6+,11-8+,15-12+,16-9+,20-17+/t19?,28-,29-,30+/m1/s1
InChIKeyYKGOXCUNSPAGIG-QJRAGLDXSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1021/jo00076a015)
ChEBI Ontology
Outgoing Relation(s)
Manumycin C (CHEBI:202122) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(2E,4E)-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]-4,6-dimethyldeca-2,4-dienamide
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78436819ChemSpider