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CHEBI:203301 - Penarine B

ChEBI IDCHEBI:203301
ChEBI NamePenarine B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O3
Net Charge0
Average Mass250.338
Monoisotopic Mass250.15689
SMILESC[C@@H]1CC[C@@H]2C=C(CO)[C@H]3C[C@](C)(C(=O)O)C[C@]132
InChIInChI=1S/C15H22O3/c1-9-3-4-11-5-10(7-16)12-6-14(2,13(17)18)8-15(9,11)12/h5,9,11-12,16H,3-4,6-8H2,1-2H3,(H,17,18)/t9-,11-,12-,14+,15-/m1/s1
InChIKeyVZTMBTUPWNGPQT-MXMAQPRASA-N
Species of MetaboliteComponentSourceComments
Hygrophorus penarius (ncbitaxon:445024) - PubMed (25269661)
ChEBI Ontology
Outgoing Relation(s)
Penarine B (CHEBI:203301) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1R,3S,5S,8R,11R)-6-(hydroxymethyl)-3,11-dimethyltricyclo[6.3.0.01,5]undec-6-ene-3-carboxylic acid