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CHEBI:217135 - Manumycin D

ChEBI IDCHEBI:217135
ChEBI NameManumycin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H40N2O7
Net Charge0
Average Mass552.668
Monoisotopic Mass552.28355
SMILESCCCCC(C)/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](O)CC1=O
InChIInChI=1S/C31H40N2O7/c1-5-6-11-20(2)16-21(3)17-22(4)30(39)32-23-19-31(40,27(37)18-26(23)36)15-10-8-7-9-12-28(38)33-29-24(34)13-14-25(29)35/h7-10,12,15-17,19-20,27,34,37,40H,5-6,11,13-14,18H2,1-4H3,(H,32,39)(H,33,38)/b8-7+,12-9+,15-10+,21-16+,22-17+/t20?,27-,31+/m1/s1
InChIKeyVUBKFRUSHLYSFD-JLUMCTDQSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1021/jo00076a015)
ChEBI Ontology
Outgoing Relation(s)
Manumycin D (CHEBI:217135) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(2E,4E)-N-[(3S,4R)-3,4-dihydroxy-3-[(1E,3E,5E)-7-[(2-hydroxy-5-oxocyclopenten-1-yl)amino]-7-oxohepta-1,3,5-trienyl]-6-oxocyclohexen-1-yl]-2,4,6-trimethyldeca-2,4-dienamide
Manual XrefsDatabases
78438650ChemSpider