EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:219207 - (1R,8S,9S,11S,14R)-4-(hydroxymethyl)-8,14,15,15-tetramethyltetracyclo[9.3.1.01,9.05,8]pentadec-4-en-6-one

Default Structure
ChEBI IDCHEBI:219207
ChEBI Name(1R,8S,9S,11S,14R)-4-(hydroxymethyl)-8,14,15,15-tetramethyltetracyclo[9.3.1.01,9.05,8]pentadec-4-en-6-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O2
Net Charge0
Average Mass302.458
Monoisotopic Mass302.22458
SMILESC[C@@H]1CC[C@H]2C[C@@H]3[C@]1(CCC(CO)=C1C(=O)C[C@]13C)C2(C)C
InChIInChI=1S/C20H30O2/c1-12-5-6-14-9-16-19(4)10-15(22)17(19)13(11-21)7-8-20(12,16)18(14,2)3/h12,14,16,21H,5-11H2,1-4H3/t12-,14+,16+,19+,20-/m1/s1
InChIKeyVPECGYVLLWTQSD-KFMLYGGKSA-N
Species of MetaboliteComponentSourceComments
Trichoderma (ncbitaxon:5543) - PubMed (24268445)
ChEBI Ontology
Outgoing Relation(s)
(1R,8S,9S,11S,14R)-4-(hydroxymethyl)-8,14,15,15-tetramethyltetracyclo[9.3.1.01,9.05,8]pentadec-4-en-6-one (CHEBI:219207) is a ketone (CHEBI:17087)
IUPAC Name 
(1R,8S,9S,11S,14R)-4-(hydroxymethyl)-8,14,15,15-tetramethyltetracyclo[9.3.1.01,9.05,8]pentadec-4-en-6-one
Manual XrefsDatabases
78442085ChemSpider