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CHEBI:67655 - Isoadenolin D, (rel)-

ChEBI IDCHEBI:67655
ChEBI NameIsoadenolin D, (rel)-
Stars
DefinitionA natural product found in Isodon adenolomus.
Last Modified22 September 2014
DownloadsMolfile
FormulaC22H34O8
Net Charge0
Average Mass426.506
Monoisotopic Mass426.22537
SMILES[H][C@@]12C[C@H](O)[C@@]3([H])[C@]45CCCC(C)(C)[C@@]4([H])[C@H](O)[C@](O)(O[C@@H]5OC)[C@@]3(C(=O)[C@H]1COC)[C@@H]2O
InChIInChI=1S/C22H34O8/c1-19(2)6-5-7-20-13-12(23)8-10-11(9-28-3)16(25)21(13,15(10)24)22(27,17(26)14(19)20)30-18(20)29-4/h10-15,17-18,23-24,26-27H,5-9H2,1-4H3/t10-,11+,12+,13+,14-,15-,17+,18+,20-,21-,22+/m1/s1
InChIKeyPJMGRTQORMIETN-ANWIMLHSSA-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 D, (rel)- (CHEBI:67655) has role metabolite (CHEBI:25212)
Isoadenolin D, (rel)- (CHEBI:67655) is a kaurane diterpenoid (CHEBI:53666)
Synonym  Source
rel-16(R),20(S)-6beta,7beta,11beta,14beta-tetrahydroxy-17,20-dimethoxy-7alpha,20-epoxy-ent-kaur-15-oneChEBI
Citations