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CHEBI:171876 - ent-16b,19-Kauranediol 19-acetate

ChEBI IDCHEBI:171876
ChEBI Nameent-16b,19-Kauranediol 19-acetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H36O3
Net Charge0
Average Mass348.527
Monoisotopic Mass348.26645
SMILESCC(=O)OCC1(C)CCCC2(C)C1CCC13CC(CCC12)C(C)(O)C3
InChIInChI=1S/C22H36O3/c1-15(23)25-14-19(2)9-5-10-20(3)17(19)8-11-22-12-16(6-7-18(20)22)21(4,24)13-22/h16-18,24H,5-14H2,1-4H3
InChIKeyAELNFENJKQXLPW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
ChEBI Ontology
Outgoing Relation(s)
ent-16b,19-Kauranediol 19-acetate (CHEBI:171876) is a kaurane diterpenoid (CHEBI:53666)
IUPAC Name 
(14-hydroxy-5,9,14-trimethyl-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl)methyl acetate
Manual XrefsDatabases
HMDB0036801HMDB
547287ChemSpider