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CHEBI:214884 - Zopfiellin B

ChEBI IDCHEBI:214884
ChEBI NameZopfiellin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H20O4
Net Charge0
Average Mass240.299
Monoisotopic Mass240.13616
SMILESCOC(=O)CC[C@H](C)C1=CC(=O)[C@@](C)(O)CC1
InChIInChI=1S/C13H20O4/c1-9(4-5-12(15)17-3)10-6-7-13(2,16)11(14)8-10/h8-9,16H,4-7H2,1-3H3/t9-,13-/m0/s1
InChIKeyJMEWTWWYMAVASU-ZANVPECISA-N
Species of MetaboliteComponentSourceComments
Zopfiellaspecies (ncbitaxon:2107997) - DOI (10.1016/j.phytol.2020.03.008)
ChEBI Ontology
Outgoing Relation(s)
Zopfiellin B (CHEBI:214884) is a p-menthane monoterpenoid (CHEBI:25186)
IUPAC Name 
methyl (4S)-4-[(4S)-4-hydroxy-4-methyl-3-oxocyclohexen-1-yl]pentanoate