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CHEBI:168020 - (ent-2alpha,3beta,15beta,16beta)-15,16-Epoxy-2,3-kauranediol

ChEBI IDCHEBI:168020
ChEBI Name(ent-2alpha,3beta,15beta,16beta)-15,16-Epoxy-2,3-kauranediol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H32O3
Net Charge0
Average Mass320.473
Monoisotopic Mass320.23514
SMILESCC1(C)C(O)C(O)CC2(C)C1CCC13CC(CCC21)C1(C)OC31
InChIInChI=1S/C20H32O3/c1-17(2)13-7-8-20-9-11(19(4)16(20)23-19)5-6-14(20)18(13,3)10-12(21)15(17)22/h11-16,21-22H,5-10H2,1-4H3
InChIKeyHFKTUZJPXRDTKA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
(ent-2alpha,3beta,15beta,16beta)-15,16-Epoxy-2,3-kauranediol (CHEBI:168020) is a kaurane diterpenoid (CHEBI:53666)
IUPAC Name 
5,5,9,14-tetramethyl-15-oxapentacyclo[11.3.1.01,10.04,9.014,16]heptadecane-6,7-diol
Manual XrefsDatabases
HMDB0038688HMDB
35014636ChemSpider