EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:192310 - Thujyl 19-trachylobanoate

ChEBI IDCHEBI:192310
ChEBI NameThujyl 19-trachylobanoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H46O2
Net Charge0
Average Mass438.696
Monoisotopic Mass438.34978
SMILESCC(C)C12CCC(C)(OC(=O)C3(C)CCCC4(C)C5CC6C7CC5(CCC34)CC67C)C1C2
InChIInChI=1S/C30H46O2/c1-18(2)30-13-12-28(6,23(30)16-30)32-24(31)26(4)10-7-9-25(3)21(26)8-11-29-15-20-19(14-22(25)29)27(20,5)17-29/h18-23H,7-17H2,1-6H3
InChIKeyPLICBZQBAQRVRT-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Ovis aries (ncbitaxon:9940) Rumen (NCIT:C98778) MetaboLights (MTBLS3683)
ChEBI Ontology
Outgoing Relation(s)
Thujyl 19-trachylobanoate (CHEBI:192310) is a kaurane diterpenoid (CHEBI:53666)
IUPAC Name 
(2-methyl-5-propan-2-yl-2-bicyclo[3.1.0]hexanyl) 5,9,13-trimethylpentacyclo[11.2.1.01,10.04,9.012,14]hexadecane-5-carboxylate
Manual XrefsDatabases
HMDB0036840HMDB
35014270ChemSpider