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CHEBI:220666 - Similin A

ChEBI IDCHEBI:220666
ChEBI NameSimilin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H20O3
Net Charge0
Average Mass224.300
Monoisotopic Mass224.14124
SMILESCC[C@@H](C)C1=C(CO)C(=O)[C@](C)(CC)C1=O
InChIInChI=1S/C13H20O3/c1-5-8(3)10-9(7-14)11(15)13(4,6-2)12(10)16/h8,14H,5-7H2,1-4H3/t8-,13+/m1/s1
InChIKeyKLBYHSGDRHDUSA-OQPBUACISA-N
Species of MetaboliteComponentSourceComments
Preussia similis (ncbitaxon:269685) - DOI (10.1016/s0040-4039(00)91884-7)
ChEBI Ontology
Outgoing Relation(s)
Similin A (CHEBI:220666) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
(2R)-4-[(2R)-butan-2-yl]-2-ethyl-5-(hydroxymethyl)-2-methylcyclopent-4-ene-1,3-dione
Manual XrefsDatabases
78436176ChemSpider