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CHEBI:217328 - Pestaloficiol W

ChEBI IDCHEBI:217328
ChEBI NamePestaloficiol W
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H10O4
Net Charge0
Average Mass194.186
Monoisotopic Mass194.05791
SMILESCC(=O)C#CC1=C[C@H](O)[C@H]2O[C@H]2[C@@H]1O
InChIInChI=1S/C10H10O4/c1-5(11)2-3-6-4-7(12)9-10(14-9)8(6)13/h4,7-10,12-13H,1H3/t7-,8+,9+,10-/m0/s1
InChIKeyWAMLPDYUAZSUNU-JLIMGVALSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis fici (ncbitaxon:393283) - PubMed (27015125)
ChEBI Ontology
Outgoing Relation(s)
Pestaloficiol W (CHEBI:217328) is a α,β-unsaturated ketone (CHEBI:51721)
IUPAC Name 
4-[(1S,2R,5S,6R)-2,5-dihydroxy-7-oxabicyclo[4.1.0]hept-3-en-3-yl]but-3-yn-2-one
Manual XrefsDatabases
78441356ChemSpider