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CHEBI:209109 - Piltunine E

ChEBI IDCHEBI:209109
ChEBI NamePiltunine E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC14H18O5
Net Charge0
Average Mass266.293
Monoisotopic Mass266.11542
SMILESCC(=O)C1=CC[C@]23CO[C@H](C2)[C@@](O)(C(=O)O)CC[C@@H]13
InChIInChI=1S/C14H18O5/c1-8(15)9-2-4-13-6-11(19-7-13)14(18,12(16)17)5-3-10(9)13/h2,10-11,18H,3-7H2,1H3,(H,16,17)/t10-,11+,13+,14+/m0/s1
InChIKeyKPGYQQMJCOACFG-OIMNJJJWSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (31752168)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Piltunine E (CHEBI:209109) is a hydroxy monocarboxylic acid (CHEBI:35868)
IUPAC Name 
(1S,5R,8R,9R)-4-acetyl-8-hydroxy-10-oxatricyclo[7.2.1.01,5]dodec-3-ene-8-carboxylic acid
Manual XrefsDatabases
81363634ChemSpider