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CHEBI:209896 - Pestalrone A

ChEBI IDCHEBI:209896
ChEBI NamePestalrone A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC11H18O5
Net Charge0
Average Mass230.260
Monoisotopic Mass230.11542
SMILESCCCC(O)C[C@@]1(OC)C[C@H]2O[C@H]2C(=O)O1
InChIInChI=1S/C11H18O5/c1-3-4-7(12)5-11(14-2)6-8-9(15-8)10(13)16-11/h7-9,12H,3-6H2,1-2H3/t7?,8-,9-,11+/m1/s1
InChIKeyXIGZBMIJNRJFAA-KAQMQXIFSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis karstenii (ncbitaxon:285112) - PubMed (22805506)
ChEBI Ontology
Outgoing Relation(s)
Pestalrone A (CHEBI:209896) is a oxacycle (CHEBI:38104)
IUPAC Name 
(1R,4S,6R)-4-(2-hydroxypentyl)-4-methoxy-3,7-dioxabicyclo[4.1.0]heptan-2-one
Manual XrefsDatabases
78439840ChemSpider