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CHEBI:225256 - Pestalotiphain E

ChEBI IDCHEBI:225256
ChEBI NamePestalotiphain E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H28O5
Net Charge0
Average Mass312.406
Monoisotopic Mass312.19367
SMILESCC(=O)O[C@H]1C/C(C)=C/[C@@H](O)C[C@@H](CO)[C@H]2CC(C)(C)[C@]12O
InChIInChI=1S/C17H28O5/c1-10-5-13(20)7-12(9-18)14-8-16(3,4)17(14,21)15(6-10)22-11(2)19/h5,12-15,18,20-21H,6-9H2,1-4H3/b10-5+/t12-,13+,14+,15-,17+/m0/s1
InChIKeyUUDOJZGKNSEPLY-QGUQUUFPSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis hainanensis (ncbitaxon:679339) - PubMed (33064488)
ChEBI Ontology
Outgoing Relation(s)
Pestalotiphain E (CHEBI:225256) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
[(1S,2S,4E,6S,8R,9R)-1,6-dihydroxy-8-(hydroxymethyl)-4,11,11-trimethyl-2-bicyclo[7.2.0]undec-4-enyl] acetate