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CHEBI:67676 - Adenolin A

ChEBI IDCHEBI:67676
ChEBI NameAdenolin A
Stars
DefinitionA natural product found in Isodon adenolomus.
Last Modified22 September 2014
DownloadsMolfile
FormulaC25H36O9
Net Charge0
Average Mass480.554
Monoisotopic Mass480.23593
SMILES[H][C@]12C[C@@H](OC(C)=O)[C@@]3([H])[C@]45CCC[C@@](C)(COC(C)=O)[C@@]4([H])[C@H](O)[C@@](O)(OC5)[C@]3(C1)C(=O)[C@@H]2COC
InChIInChI=1S/C25H36O9/c1-13(26)32-11-22(3)6-5-7-23-12-33-25(30,21(29)19(22)23)24-9-15(16(10-31-4)20(24)28)8-17(18(23)24)34-14(2)27/h15-19,21,29-30H,5-12H2,1-4H3/t15-,16+,17+,18-,19+,21-,22-,23+,24-,25+/m0/s1
InChIKeyDGVZXNNCLWTOAG-ILOGQNIYSA-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 A (CHEBI:67676) has role metabolite (CHEBI:25212)
Adenolin A (CHEBI:67676) is a kaurane diterpenoid (CHEBI:53666)
Citations