EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:192879 - ent-7alpha,12beta-Dihydroxy-16-kauren-19,6beta-olide

ChEBI IDCHEBI:192879
ChEBI Nameent-7alpha,12beta-Dihydroxy-16-kauren-19,6beta-olide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28O4
Net Charge0
Average Mass332.440
Monoisotopic Mass332.19876
SMILESC=C1CC23CC1C(O)CC2C1(C)CCCC2(C)C(=O)OC(C21)C3O
InChIInChI=1S/C20H28O4/c1-10-8-20-9-11(10)12(21)7-13(20)18(2)5-4-6-19(3)15(18)14(16(20)22)24-17(19)23/h11-16,21-22H,1,4-9H2,2-3H3
InChIKeyOSYJLXUUZYSFTC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Cryptomeria (ncbitaxon:3368) needle (BTO:0000917) MetaboLights (MTBLS4099) Strain: Cryptomeria fortunei Hooibrenk
ChEBI Ontology
Outgoing Relation(s)
ent-7alpha,12beta-Dihydroxy-16-kauren-19,6beta-olide (CHEBI:192879) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
4,9-dihydroxy-1,13-dimethyl-6-methylidene-11-oxapentacyclo[8.6.1.15,8.02,8.013,17]octadecan-12-one
Manual XrefsDatabases
HMDB0036700HMDB
4264507ChemSpider