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CHEBI:209101 - Piltunine D

ChEBI IDCHEBI:209101
ChEBI NamePiltunine D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H24O5
Net Charge0
Average Mass296.363
Monoisotopic Mass296.16237
SMILESCOC(C)(C)C1=CC[C@]23CO[C@H](C2)[C@@](O)(C(=O)O)CC[C@@H]13
InChIInChI=1S/C16H24O5/c1-14(2,20-3)10-4-6-15-8-12(21-9-15)16(19,13(17)18)7-5-11(10)15/h4,11-12,19H,5-9H2,1-3H3,(H,17,18)/t11-,12+,15+,16+/m0/s1
InChIKeyJPDCRXSUCOUIKK-UAXWRAGISA-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 D (CHEBI:209101) is a hydroxy monocarboxylic acid (CHEBI:35868)
IUPAC Name 
(1S,5R,8R,9R)-8-hydroxy-4-(2-methoxypropan-2-yl)-10-oxatricyclo[7.2.1.01,5]dodec-3-ene-8-carboxylic acid
Manual XrefsDatabases
81363633ChemSpider