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CHEBI:209089 - Piltunine B

Default Structure
ChEBI IDCHEBI:209089
ChEBI NamePiltunine B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H24O6
Net Charge0
Average Mass324.373
Monoisotopic Mass324.15729
SMILESCC(=O)OC/C(C)=C1\CC[C@]23CO[C@H](C2)[C@@](O)(C(=O)O)CC[C@@H]13
InChIInChI=1S/C17H24O6/c1-10(8-22-11(2)18)12-3-5-16-7-14(23-9-16)17(21,15(19)20)6-4-13(12)16/h13-14,21H,3-9H2,1-2H3,(H,19,20)/b12-10+/t13-,14+,16+,17+/m0/s1
InChIKeyWUDUPHAKVSKYPY-LSJBOMNLSA-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 B (CHEBI:209089) is a dicarboxylic acid (CHEBI:35692)
IUPAC Name 
(1S,4E,5S,8R,9R)-4-(1-acetyloxypropan-2-ylidene)-8-hydroxy-10-oxatricyclo[7.2.1.01,5]dodecane-8-carboxylic acid
Manual XrefsDatabases
81363631ChemSpider