EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:230344 - Patchoula-2,4-diene

ChEBI IDCHEBI:230344
ChEBI NamePatchoula-2,4-diene
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22
Net Charge0
Average Mass202.341
Monoisotopic Mass202.17215
SMILESCC1=C2C[C@H]3CC[C@@H](C)[C@]2(C=C1)C3(C)C
InChIInChI=1S/C15H22/c1-10-7-8-15-11(2)5-6-12(9-13(10)15)14(15,3)4/h7-8,11-12H,5-6,9H2,1-4H3/t11-,12-,15+/m1/s1
InChIKeyDPHLFUXQEZYZAP-JMSVASOKSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
Patchoula-2,4-diene (CHEBI:230344) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1S,7R,10R)-4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undeca-2,4-diene
Manual XrefsDatabases
24846713ChemSpider