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CHEBI:209085 - Piltunine A

ChEBI IDCHEBI:209085
ChEBI NamePiltunine A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O5
Net Charge0
Average Mass282.336
Monoisotopic Mass282.14672
SMILESC/C(CO)=C1/CC[C@]23CO[C@H](C2)[C@@](O)(C(=O)O)CC[C@@H]13
InChIInChI=1S/C15H22O5/c1-9(7-16)10-2-4-14-6-12(20-8-14)15(19,13(17)18)5-3-11(10)14/h11-12,16,19H,2-8H2,1H3,(H,17,18)/b10-9+/t11-,12+,14+,15+/m0/s1
InChIKeyQYINOGPWFQBOJX-XFDGYBJFSA-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 A (CHEBI:209085) is a hydroxy monocarboxylic acid (CHEBI:35868)
IUPAC Name 
(1S,4E,5S,8R,9R)-8-hydroxy-4-(1-hydroxypropan-2-ylidene)-10-oxatricyclo[7.2.1.01,5]dodecane-8-carboxylic acid
Manual XrefsDatabases
81363630ChemSpider