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CHEBI:227625 - Penipratynolene

ChEBI IDCHEBI:227625
ChEBI NamePenipratynolene
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H12O4
Net Charge0
Average Mass220.224
Monoisotopic Mass220.07356
SMILESC#C[C@@H](O)COc1ccc(C(=O)OC)cc1
InChIInChI=1S/C12H12O4/c1-3-10(13)8-16-11-6-4-9(5-7-11)12(14)15-2/h1,4-7,10,13H,8H2,2H3/t10-/m1/s1
InChIKeyXHEHRJGOTYDGPW-SNVBAGLBSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (14745197)
ChEBI Ontology
Outgoing Relation(s)
Penipratynolene (CHEBI:227625) is a benzoate ester (CHEBI:36054)
IUPAC Name 
methyl 4-[(2R)-2-hydroxybut-3-ynoxy]benzoate
Manual XrefsDatabases
57539385ChemSpider