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CHEBI:220343 - Phomolide E

ChEBI IDCHEBI:220343
ChEBI NamePhomolide E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H18O5
Net Charge0
Average Mass242.271
Monoisotopic Mass242.11542
SMILESCCC(O)[C@@H]1C[C@H](O)[C@@H](O)/C=C/C=C\C(=O)O1
InChIInChI=1S/C12H18O5/c1-2-8(13)11-7-10(15)9(14)5-3-4-6-12(16)17-11/h3-6,8-11,13-15H,2,7H2,1H3/b5-3+,6-4-/t8?,9-,10-,11-/m0/s1
InChIKeyCCFGKQCUMWRNLA-PRTGLMMUSA-N
Species of MetaboliteComponentSourceComments
Phomopsisspecies A123 (ncbitaxon:559193) - PubMed (26281194)
ChEBI Ontology
Outgoing Relation(s)
Phomolide E (CHEBI:220343) is a oxacycle (CHEBI:38104)
IUPAC Name 
(2S,4S,5S,6E,8Z)-4,5-dihydroxy-2-(1-hydroxypropyl)-2,3,4,5-tetrahydrooxecin-10-one
Manual XrefsDatabases
29215167ChemSpider