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CHEBI:209096 - Piltunine C

ChEBI IDCHEBI:209096
ChEBI NamePiltunine C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O5
Net Charge0
Average Mass282.336
Monoisotopic Mass282.14672
SMILESCC(C)=C1CC[C@@]23C[C@@H](O[C@H]2O)[C@@](O)(C(=O)O)CC[C@@H]13
InChIInChI=1S/C15H22O5/c1-8(2)9-3-5-14-7-11(20-13(14)18)15(19,12(16)17)6-4-10(9)14/h10-11,13,18-19H,3-7H2,1-2H3,(H,16,17)/t10-,11+,13+,14-,15+/m0/s1
InChIKeyYXJFUNMPVSGAAH-RFBJSHEKSA-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 C (CHEBI:209096) is a hydroxy monocarboxylic acid (CHEBI:35868)
IUPAC Name 
(1S,5S,8R,9R,11R)-8,11-dihydroxy-4-propan-2-ylidene-10-oxatricyclo[7.2.1.01,5]dodecane-8-carboxylic acid
Manual XrefsDatabases
81363632ChemSpider