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CHEBI:225185 - Penarine E

ChEBI IDCHEBI:225185
ChEBI NamePenarine E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O4
Net Charge0
Average Mass266.337
Monoisotopic Mass266.15181
SMILESC[C@@H]1CC[C@@H]2C[C@H](C(=O)O)[C@H]3C[C@](C)(C(=O)O)C[C@]213
InChIInChI=1S/C15H22O4/c1-8-3-4-9-5-10(12(16)17)11-6-14(2,13(18)19)7-15(8,9)11/h8-11H,3-7H2,1-2H3,(H,16,17)(H,18,19)/t8-,9-,10+,11-,14+,15-/m1/s1
InChIKeyZKEYYASKEXLLCC-ABYUPDDJSA-N
Species of MetaboliteComponentSourceComments
Hygrophorus penarius (ncbitaxon:445024) - PubMed (25269661)
ChEBI Ontology
Outgoing Relation(s)
Penarine E (CHEBI:225185) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1R,3S,5R,6S,8R,11R)-3,11-dimethyltricyclo[6.3.0.01,5]undecane-3,6-dicarboxylic acid