EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:216703 - Pestalotiopsin L

ChEBI IDCHEBI:216703
ChEBI NamePestalotiopsin L
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H32O6
Net Charge0
Average Mass368.470
Monoisotopic Mass368.21989
SMILESCOC=C1[C@@H](OC)[C@H](OC)C=C(C)C[C@H](OC(C)=O)[C@]2(O)[C@@H]1CC2(C)C
InChIInChI=1S/C20H32O6/c1-12-8-16(24-6)18(25-7)14(11-23-5)15-10-19(3,4)20(15,22)17(9-12)26-13(2)21/h8,11,15-18,22H,9-10H2,1-7H3/t15-,16-,17+,18-,20-/m1/s1
InChIKeyWBROHXNZKGHXDM-BFMVXSJESA-N
Species of MetaboliteComponentSourceComments
Seiridium (ncbitaxon:138063) - DOI (10.1016/j.tet.2020.131197)
ChEBI Ontology
Outgoing Relation(s)
Pestalotiopsin L (CHEBI:216703) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
[(1S,2S,6R,7R,9R)-1-hydroxy-6,7-dimethoxy-8-(methoxymethylidene)-4,11,11-trimethyl-2-bicyclo[7.2.0]undec-4-enyl] acetate