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CHEBI:217388 - Pestalotiolactone A

ChEBI IDCHEBI:217388
ChEBI NamePestalotiolactone A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC10H16O3
Net Charge0
Average Mass184.235
Monoisotopic Mass184.10994
SMILESC[C@@H]1[C@H]2[C@@H](C[C@]1(C)O)OC(=O)[C@@H]2C
InChIInChI=1S/C10H16O3/c1-5-8-6(2)10(3,12)4-7(8)13-9(5)11/h5-8,12H,4H2,1-3H3/t5-,6-,7-,8+,10+/m1/s1
InChIKeyZNLOKJLITCSYPQ-BGJNVIQHSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsisspecies (ncbitaxon:36460) - DOI (10.1016/j.tetlet.2016.12.026)
ChEBI Ontology
Outgoing Relation(s)
Pestalotiolactone A (CHEBI:217388) is a terpene lactone (CHEBI:37668)
IUPAC Name 
(3R,3aR,4R,5S,6aR)-5-hydroxy-3,4,5-trimethyl-3a,4,6,6a-tetrahydro-3H-cyclopenta[b]uran-2-one
Manual XrefsDatabases
78439377ChemSpider