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CHEBI:67660 - Isoadenolin I, (rel)-

ChEBI IDCHEBI:67660
ChEBI NameIsoadenolin I, (rel)-
Stars
DefinitionA natural product found in Isodon adenolomus.
Last Modified22 September 2014
DownloadsMolfile
FormulaC22H28O6
Net Charge0
Average Mass388.460
Monoisotopic Mass388.18859
SMILES[H][C@]12CC=C3[C@@](C1)(C(=O)C2=C)[C@@]1(O)OC[C@]32[C@@H](OC(C)=O)CCC(C)(C)[C@@]2([H])[C@@H]1O
InChIInChI=1S/C22H28O6/c1-11-13-5-6-14-20-10-27-22(26,21(14,9-13)17(11)24)18(25)16(20)19(3,4)8-7-15(20)28-12(2)23/h6,13,15-16,18,25-26H,1,5,7-10H2,2-4H3/t13-,15-,16+,18-,20+,21-,22-/m0/s1
InChIKeyYANOCUIQFVTZFB-KTAPYFENSA-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 I, (rel)- (CHEBI:67660) has role metabolite (CHEBI:25212)
Isoadenolin I, (rel)- (CHEBI:67660) is a kaurane diterpenoid (CHEBI:53666)
Synonym  Source
rel-1alpha-acetoxy-6beta,7beta-dihydroxy-7alpha,20-epoxy-ent-kaur-9(11),16-dien-15-oneChEBI
Citations