EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:175100 - 8alpha,13R-Epoxy-14-labden-19-oic acid

Default Structure
ChEBI IDCHEBI:175100
ChEBI Name8alpha,13R-Epoxy-14-labden-19-oic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H32O3
Net Charge0
Average Mass320.473
Monoisotopic Mass320.23514
SMILESC=CC1(C)CCC2C(C)(CCC3C(C)(C(=O)O)CCCC23C)O1
InChIInChI=1S/C20H32O3/c1-6-17(2)12-8-15-18(3)10-7-11-19(4,16(21)22)14(18)9-13-20(15,5)23-17/h6,14-15H,1,7-13H2,2-5H3,(H,21,22)
InChIKeyPOQLUTMXUBSNEN-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
8alpha,13R-Epoxy-14-labden-19-oic acid (CHEBI:175100) is a triterpenoid (CHEBI:36615)
IUPAC Name 
3-ethenyl-3,4a,7,10a-tetramethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[]chromene-7-carboxylic acid
Manual XrefsDatabases
35014256ChemSpider
HMDB0036810HMDB