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CHEBI:217394 - Pestalotiolactone B

ChEBI IDCHEBI:217394
ChEBI NamePestalotiolactone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H18O5
Net Charge0
Average Mass254.282
Monoisotopic Mass254.11542
SMILESC/C(=C1\C=C(O)C(=O)O1)[C@@H]1[C@H](O)C[C@](C)(O)[C@@H]1C
InChIInChI=1S/C13H18O5/c1-6(10-4-8(14)12(16)18-10)11-7(2)13(3,17)5-9(11)15/h4,7,9,11,14-15,17H,5H2,1-3H3/b10-6-/t7-,9-,11+,13+/m1/s1
InChIKeyACOBBIYNRWPMSV-BJCBDRDYSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsisspecies (ncbitaxon:36460) - DOI (10.1016/j.tetlet.2016.12.026)
ChEBI Ontology
Outgoing Relation(s)
Pestalotiolactone B (CHEBI:217394) is a terpene lactone (CHEBI:37668)
IUPAC Name 
(5Z)-5-[1-[(1R,2R,3S,5R)-3,5-dihydroxy-2,3-dimethylcyclopentyl]ethylidene]-3-hydroxyuran-2-one
Manual XrefsDatabases
78439378ChemSpider