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CHEBI:227973 - Pestalolide B

ChEBI IDCHEBI:227973
ChEBI NamePestalolide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H22O4
Net Charge0
Average Mass254.326
Monoisotopic Mass254.15181
SMILESC=C1C(=O)O[C@@H](C(=O)OC)[C@@H]1CCCCCCC
InChIInChI=1S/C14H22O4/c1-4-5-6-7-8-9-11-10(2)13(15)18-12(11)14(16)17-3/h11-12H,2,4-9H2,1,3H3/t11-,12-/m1/s1
InChIKeyDPSDDXTZAXTWGN-VXGBXAGGSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsisspecies (ncbitaxon:36460) - DOI (10.1016/j.phytol.2018.11.021)
ChEBI Ontology
Outgoing Relation(s)
Pestalolide B (CHEBI:227973) is a γ-lactone (CHEBI:37581)
IUPAC Name 
methyl (2R,3R)-3-heptyl-4-methylidene-5-oxooxolane-2-carboxylate