CHEBI:70381 - entkaurane-3beta,16beta-diol

ChEBI IDCHEBI:70381
ChEBI Nameentkaurane-3beta,16beta-diol
Stars
DefinitionA natural product found in Isodon eriocalyx.
Last Modified22 September 2014
DownloadsMolfile
FormulaC20H34O2
Net Charge0
Average Mass306.490
Monoisotopic Mass306.25588
SMILES[H][C@@]12CC[C@@H]3C[C@@]1(CC[C@]1([H])C(C)(C)[C@@H](O)CC[C@@]21C)C[C@@]3(C)O
InChIInChI=1S/C20H34O2/c1-17(2)14-7-10-20-11-13(19(4,22)12-20)5-6-15(20)18(14,3)9-8-16(17)21/h13-16,21-22H,5-12H2,1-4H3/t13?,14-,15+,16+,18-,19-,20+/m1/s1
InChIKeyVUJZEWLGPXJQEB-KTZJQMJJSA-N
Species of MetaboliteComponentSourceComments
Isodon eriocalyx (IPNI:448573-1) aerial part (BTO:0001658) PubMed (20949916) 70% aqueous Me2CO extract of air-dried and powdered aerial parts
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
entkaurane-3beta,16beta-diol (CHEBI:70381) has role metabolite (CHEBI:25212)
entkaurane-3beta,16beta-diol (CHEBI:70381) is a kaurane diterpenoid (CHEBI:53666)
Citations