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CHEBI:67662 - Isoadenolin K

ChEBI IDCHEBI:67662
ChEBI NameIsoadenolin K
Stars
DefinitionA natural product found in Isodon adenolomus.
Last Modified22 September 2014
DownloadsMolfile
FormulaC22H30O7
Net Charge0
Average Mass406.475
Monoisotopic Mass406.19915
SMILES[H][C@@]12C[C@]3(C(=C[C@@H]1O)[C@@]14CO[C@@]3(O)[C@@H](O)[C@]1([H])C(C)(C)CC[C@@H]4OC(C)=O)[C@H](O)C2=C
InChIInChI=1S/C22H30O7/c1-10-12-8-21(17(10)25)14(7-13(12)24)20-9-28-22(21,27)18(26)16(20)19(3,4)6-5-15(20)29-11(2)23/h7,12-13,15-18,24-27H,1,5-6,8-9H2,2-4H3/t12-,13-,15-,16+,17+,18-,20+,21-,22-/m0/s1
InChIKeyFVWUMQGTOQVUIL-NOILNLMISA-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)
Isoadenolin K (CHEBI:67662) has role metabolite (CHEBI:25212)
Isoadenolin K (CHEBI:67662) is a kaurane diterpenoid (CHEBI:53666)
Synonym  Source
1alpha-acetoxy-6beta,7beta,12alpha,15beta-tetrahydroxy-7alpha,20-epoxy-entkaur-9(11),16-dieneChEBI
Citations