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CHEBI:67674 - Adenolin D

ChEBI IDCHEBI:67674
ChEBI NameAdenolin D
Stars
DefinitionA natural product found in Isodon adenolomus.
Last Modified22 September 2014
DownloadsMolfile
FormulaC23H34O7
Net Charge0
Average Mass422.518
Monoisotopic Mass422.23045
SMILES[H][C@]12C[C@@H](OC(C)=O)[C@@]3([H])[C@]45CCCC(C)(C)[C@@]4([H])[C@H](O)[C@@](O)(OC5)[C@]3(C1)C(=O)[C@@H]2COC
InChIInChI=1S/C23H34O7/c1-12(24)30-15-8-13-9-22(18(25)14(13)10-28-4)16(15)21-7-5-6-20(2,3)17(21)19(26)23(22,27)29-11-21/h13-17,19,26-27H,5-11H2,1-4H3/t13-,14+,15+,16-,17+,19-,21+,22-,23+/m0/s1
InChIKeyVVSBOWDVUWUVCK-ZTDGPNIRSA-N
Species of MetaboliteComponentSourceComments
Isodon adenolomus (ncbitaxon:662903) aerial part (BTO:0001658) PubMed (21534539) 70% aqueous acetone 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)
Adenolin D (CHEBI:67674) has role metabolite (CHEBI:25212)
Adenolin D (CHEBI:67674) is a kaurane diterpenoid (CHEBI:53666)
Citations