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CHEBI:230002 - ent-17-Acetoxy-16b-kauran-19-al

ChEBI IDCHEBI:230002
ChEBI Nameent-17-Acetoxy-16b-kauran-19-al
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H34O3
Net Charge0
Average Mass346.511
Monoisotopic Mass346.25079
SMILESCC(=O)OCC1CC23CCC4C(C)(C=O)CCCC4(C)C2CCC1C3
InChIInChI=1S/C22H34O3/c1-15(24)25-13-17-12-22-10-7-18-20(2,14-23)8-4-9-21(18,3)19(22)6-5-16(17)11-22/h14,16-19H,4-13H2,1-3H3
InChIKeyAXCCTUATUTWPBD-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
ChEBI Ontology
Outgoing Relation(s)
ent-17-Acetoxy-16b-kauran-19-al (CHEBI:230002) is a kaurane diterpenoid (CHEBI:53666)
IUPAC Name 
(5-ormyl-5,9-dimethyl-14-tetracyclo[11.2.1.01,10.04,9]hexadecanyl)methyl acetate
Manual XrefsDatabases
HMDB0036722HMDB
467185ChemSpider