EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:215411 - Similin C

ChEBI IDCHEBI:215411
ChEBI NameSimilin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H24O2
Net Charge0
Average Mass224.344
Monoisotopic Mass224.17763
SMILESCCC1=C(C(C)CC)[C@@H](O)[C@@](C)(CC)C1=O
InChIInChI=1S/C14H24O2/c1-6-9(4)11-10(7-2)12(15)14(5,8-3)13(11)16/h9,13,16H,6-8H2,1-5H3/t9?,13-,14+/m1/s1
InChIKeyIIWDJOXUWUASCX-CTWBKRIHSA-N
Species of MetaboliteComponentSourceComments
Cadophora (ncbitaxon:210567) - PubMed (29366851)
ChEBI Ontology
Outgoing Relation(s)
Similin C (CHEBI:215411) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
(4R,5R)-3-butan-2-yl-2,5-diethyl-4-hydroxy-5-methylcyclopent-2-en-1-one
Manual XrefsDatabases
78442265ChemSpider