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CHEBI:219316 - Pestalotiopsin B

ChEBI IDCHEBI:219316
ChEBI NamePestalotiopsin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H30O5
Net Charge0
Average Mass326.433
Monoisotopic Mass326.20932
SMILESCO[C@@H]1C=C(C)C[C@H](OC(C)=O)[C@]2(O)[C@H](CC2(C)C)C(CO)C1
InChIInChI=1S/C18H30O5/c1-11-6-14(22-5)8-13(10-19)15-9-17(3,4)18(15,21)16(7-11)23-12(2)20/h6,13-16,19,21H,7-10H2,1-5H3/t13?,14-,15-,16+,18-/m1/s1
InChIKeyFBYOODMLZCFCSM-HVKRJVQQSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsisspecies (ncbitaxon:36460) - DOI (10.1021/jo951736v)
ChEBI Ontology
Outgoing Relation(s)
Pestalotiopsin B (CHEBI:219316) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
[(1S,2S,6S,9R)-1-hydroxy-8-(hydroxymethyl)-6-methoxy-4,11,11-trimethyl-2-bicyclo[7.2.0]undec-4-enyl] acetate