EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:181500 - (1R,4Z,9S)-4-(hydroxymethyl)-11,11-dimethyl-8-methylidenebicyclo[7.2.0]undec-4-en-3-one

ChEBI IDCHEBI:181500
ChEBI Name(1R,4Z,9S)-4-(hydroxymethyl)-11,11-dimethyl-8-methylidenebicyclo[7.2.0]undec-4-en-3-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O2
Net Charge0
Average Mass234.339
Monoisotopic Mass234.16198
SMILES[H][C@@]12CC(=O)/C(CO)=C\CCC(=C)[C@@]1([H])CC2(C)C
InChIInChI=1S/C15H22O2/c1-10-5-4-6-11(9-16)14(17)7-13-12(10)8-15(13,2)3/h6,12-13,16H,1,4-5,7-9H2,2-3H3/b11-6-/t12-,13-/m1/s1
InChIKeyGVUHIWDAWNDBKR-RLLAQXBXSA-N
ChEBI Ontology
Outgoing Relation(s)
(1R,4Z,9S)-4-(hydroxymethyl)-11,11-dimethyl-8-methylidenebicyclo[7.2.0]undec-4-en-3-one (CHEBI:181500) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1R,4Z,9S)-4-(hydroxymethyl)-11,11-dimethyl-8-methylidenebicyclo[7.2.0]undec-4-en-3-one
Manual XrefsDatabases
29814144ChemSpider