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CHEBI:69824 - ent-13S-hydroxy-16-atisene-3,14-dione

ChEBI IDCHEBI:69824
ChEBI Nameent-13S-hydroxy-16-atisene-3,14-dione
Stars
DefinitionA natural product found in Euphorbia fischeriana.
Last Modified22 September 2014
DownloadsMolfile
FormulaC20H28O3
Net Charge0
Average Mass316.441
Monoisotopic Mass316.20384
SMILES[H][C@@]12C[C@@]3([H])C(=C)C[C@]1(CC[C@]1([H])C(C)(C)C(=O)CC[C@@]21C)C(=O)[C@H]3O
InChIInChI=1S/C20H28O3/c1-11-10-20-8-5-13-18(2,3)15(21)6-7-19(13,4)14(20)9-12(11)16(22)17(20)23/h12-14,16,22H,1,5-10H2,2-4H3/t12-,13+,14-,16-,19+,20-/m0/s1
InChIKeyUQKJSKXVMBIKGF-KIINSAQZSA-N
Species of MetaboliteComponentSourceComments
Euphorbia fischeriana (ncbitaxon:1035560) whole plant (BTO:0001461) PubMed (21534540) 90% EtOH extract of dried and powdered plant
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)
ent-13S-hydroxy-16-atisene-3,14-dione (CHEBI:69824) has parent hydride atisane (CHEBI:36471)
ent-13S-hydroxy-16-atisene-3,14-dione (CHEBI:69824) has role metabolite (CHEBI:25212)
ent-13S-hydroxy-16-atisene-3,14-dione (CHEBI:69824) is a diterpenoid (CHEBI:23849)
Synonym  Source
(5beta,8alpha,9beta,10alpha,12alpha,13S)-13-Hydroxyatis-16-ene-3,14-dioneChEBI
Citations