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CHEBI:207332 - 8-desmethoxy-isomigrastatin

ChEBI IDCHEBI:207332
ChEBI Name8-desmethoxy-isomigrastatin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H37NO6
Net Charge0
Average Mass459.583
Monoisotopic Mass459.26209
SMILESC/C(=C\[C@H](C)C(=O)CCCC1CC(=O)NC(=O)C1)[C@@H]1OC(=O)/C=C/CC/C=C/C[C@@H](O)[C@@H]1C
InChIInChI=1S/C26H37NO6/c1-17(21(28)12-9-10-20-15-23(30)27-24(31)16-20)14-18(2)26-19(3)22(29)11-7-5-4-6-8-13-25(32)33-26/h5,7-8,13-14,17,19-20,22,26,29H,4,6,9-12,15-16H2,1-3H3,(H,27,30,31)/b7-5+,13-8+,18-14+/t17-,19-,22+,26-/m0/s1
InChIKeySBOCUPFPPJWMJW-JHKKMVOOSA-N
Species of MetaboliteComponentSourceComments
Streptomyces platensis (ncbitaxon:58346) - PubMed (16117518)
ChEBI Ontology
Outgoing Relation(s)
8-desmethoxy-isomigrastatin (CHEBI:207332) is a macrolide (CHEBI:25106)
IUPAC Name 
4-[(E,5S)-7-[(2R,3S,4R,6E,10E)-4-hydroxy-3-methyl-12-oxo-1-oxacyclododeca-6,10-dien-2-yl]-5-methyl-4-oxooct-6-enyl]piperidine-2,6-dione
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78438418ChemSpider