EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:69843 - Saniculamoid D

ChEBI IDCHEBI:69843
ChEBI NameSaniculamoid D
Stars
DefinitionA natural product found in Sanicula lamelligera.
Last Modified22 September 2014
DownloadsMolfile
FormulaC14H22O2
Net Charge0
Average Mass222.328
Monoisotopic Mass222.16198
SMILES[H][C@]12CCC(=O)[C@@]1([H])[C@]2([H])[C@@H](CCC(C)=O)C(C)C
InChIInChI=1S/C14H22O2/c1-8(2)10(5-4-9(3)15)13-11-6-7-12(16)14(11)13/h8,10-11,13-14H,4-7H2,1-3H3/t10-,11+,13+,14-/m0/s1
InChIKeyGDQRIBRXZMXMRL-UNJBNNCHSA-N
Species of MetaboliteComponentSourceComments
Sanicula lamelligera (ncbitaxon:84533) whole plant (BTO:0001461) PubMed (21561060) 80% aqueous ethanolic extract of dried, powdered whole plant
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Saniculamoid D (CHEBI:69843) has role metabolite (CHEBI:25212)
Saniculamoid D (CHEBI:69843) is a cyclohexanones (CHEBI:23482)
Synonym  Source
(1R,5R,6R)-6-[(3S)-2-Methyl-6-oxo-3-heptanyl]bicyclo[3.1.0]hexan-2-oneChEBI
Citations