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CHEBI:220517 - Seimatopolide A

ChEBI IDCHEBI:220517
ChEBI NameSeimatopolide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H32O5
Net Charge0
Average Mass328.449
Monoisotopic Mass328.22497
SMILESCCCCCCCCC[C@H]1C[C@@H](O)[C@H](O)C=C[C@H](O)CC(=O)O1
InChIInChI=1S/C18H32O5/c1-2-3-4-5-6-7-8-9-15-13-17(21)16(20)11-10-14(19)12-18(22)23-15/h10-11,14-17,19-21H,2-9,12-13H2,1H3/t14-,15-,16+,17+/m0/s1
InChIKeyVKFBQLMPTJTKBZ-MWDXBVQZSA-N
Species of MetaboliteComponentSourceComments
Seimatosporium discosioides (ncbitaxon:446939) - PubMed (22424300)
ChEBI Ontology
Outgoing Relation(s)
Seimatopolide A (CHEBI:220517) is a oxacycle (CHEBI:38104)
IUPAC Name 
(2S,4R,5R,8R)-4,5,8-trihydroxy-2-nonyl-2,3,4,5,8,9-hexahydrooxecin-10-one