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CHEBI:226270 - Asukamycin A-II

ChEBI IDCHEBI:226270
ChEBI NameAsukamycin A-II
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H36N2O7
Net Charge0
Average Mass548.636
Monoisotopic Mass548.25225
SMILESO=C(/C=C/C=C/C=C/C1CCCCC1)NC1=C[C@@](O)(/C=C/C=C/C=C/C(=O)NC2=C(O)CCC2=O)[C@H](O)CC1=O
InChIInChI=1S/C31H36N2O7/c34-24-17-18-25(35)30(24)33-29(39)16-10-3-4-11-19-31(40)21-23(26(36)20-27(31)37)32-28(38)15-9-2-1-6-12-22-13-7-5-8-14-22/h1-4,6,9-12,15-16,19,21-22,27,34,37,40H,5,7-8,13-14,17-18,20H2,(H,32,38)(H,33,39)/b2-1+,4-3+,12-6+,15-9+,16-10+,19-11+/t27-,31+/m1/s1
InChIKeyWGUBGLKEDHADPC-ADTJGLPNSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (11426658)
ChEBI Ontology
Outgoing Relation(s)
Asukamycin A-II (CHEBI:226270) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(2E,4E,6E)-7-cyclohexyl-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]hepta-2,4,6-trienamide
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