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CHEBI:211054 - Seimatopolide B

ChEBI IDCHEBI:211054
ChEBI NameSeimatopolide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H32O4
Net Charge0
Average Mass312.450
Monoisotopic Mass312.23006
SMILESCCCCCCCCC[C@H]1CC[C@H](O)/C=C/[C@H](O)CC(=O)O1
InChIInChI=1S/C18H32O4/c1-2-3-4-5-6-7-8-9-17-13-12-15(19)10-11-16(20)14-18(21)22-17/h10-11,15-17,19-20H,2-9,12-14H2,1H3/b11-10+/t15-,16+,17+/m1/s1
InChIKeyXPIVIEHYRXZHSQ-SRXSTOJXSA-N
Species of MetaboliteComponentSourceComments
Seimatosporium discosioides (ncbitaxon:446939) - PubMed (22424300)
ChEBI Ontology
Outgoing Relation(s)
Seimatopolide B (CHEBI:211054) is a oxacycle (CHEBI:38104)
IUPAC Name 
(2S,5S,6E,8R)-5,8-dihydroxy-2-nonyl-2,3,4,5,8,9-hexahydrooxecin-10-one
Manual XrefsDatabases
28522727ChemSpider