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CHEBI:202932 - Isomigratatin

ChEBI IDCHEBI:202932
ChEBI NameIsomigratatin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H39NO7
Net Charge0
Average Mass489.609
Monoisotopic Mass489.27265
SMILESCO/C1=C/CCC/C=C/C(=O)O[C@@H](C(C)C(=O)CCCC2CC(=O)NC(=O)C2)/C(C)=C\[C@H](C)[C@@H]1O
InChIInChI=1S/C27H39NO7/c1-17-14-18(2)27(35-25(32)13-8-6-5-7-12-22(34-4)26(17)33)19(3)21(29)11-9-10-20-15-23(30)28-24(31)16-20/h8,12-14,17,19-20,26-27,33H,5-7,9-11,15-16H2,1-4H3,(H,28,30,31)/b13-8+,18-14-,22-12+/t17-,19?,26-,27+/m0/s1
InChIKeyVAIINXRCSKBTKZ-UADFJDGKSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (12002995)
ChEBI Ontology
Outgoing Relation(s)
Isomigratatin (CHEBI:202932) is a macrolide (CHEBI:25106)
IUPAC Name 
4-[5-[(2S,3Z,5S,6S,7E,12E)-6-hydroxy-7-methoxy-3,5-dimethyl-14-oxo-1-oxacyclotetradeca-3,7,12-trien-2-yl]-4-oxohexyl]piperidine-2,6-dione
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78436935ChemSpider