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CHEBI:209249 - Penicilactone B

ChEBI IDCHEBI:209249
ChEBI NamePenicilactone B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC14H14O6
Net Charge0
Average Mass278.260
Monoisotopic Mass278.07904
SMILESCc1cc(O)cc(OC(=O)C[C@@]2(C)C=C(O)C(=O)O2)c1
InChIInChI=1S/C14H14O6/c1-8-3-9(15)5-10(4-8)19-12(17)7-14(2)6-11(16)13(18)20-14/h3-6,15-16H,7H2,1-2H3/t14-/m1/s1
InChIKeyPDFXYZAJMMZIAG-CQSZACIVSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (31817515)
ChEBI Ontology
Outgoing Relation(s)
Penicilactone B (CHEBI:209249) is a benzoate ester (CHEBI:36054)
Penicilactone B (CHEBI:209249) is a phenols (CHEBI:33853)
IUPAC Name 
(3-hydroxy-5-methylphenyl) 2-[(2S)-4-hydroxy-2-methyl-5-oxouran-2-yl]acetate
Manual XrefsDatabases
81131521ChemSpider