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CHEBI:67661 - Isoadenolin J

ChEBI IDCHEBI:67661
ChEBI NameIsoadenolin J
Stars
DefinitionA natural product found in Isodon adenolomus.
Last Modified22 September 2014
DownloadsMolfile
FormulaC22H28O7
Net Charge0
Average Mass404.459
Monoisotopic Mass404.18350
SMILES[H][C@@]12CC=C3[C@](C(=O)C1=C)([C@@H]2O)[C@@]1(O)OC[C@]32[C@@H](OC(C)=O)CCC(C)(C)[C@@]2([H])[C@@H]1O
InChIInChI=1S/C22H28O7/c1-10-12-5-6-13-20-9-28-22(27,21(13,16(10)24)17(12)25)18(26)15(20)19(3,4)8-7-14(20)29-11(2)23/h6,12,14-15,17-18,25-27H,1,5,7-9H2,2-4H3/t12-,14+,15-,17-,18+,20-,21+,22+/m1/s1
InChIKeyGSKRIVQTOXDITI-PVROYMNUSA-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 J (CHEBI:67661) has role metabolite (CHEBI:25212)
Isoadenolin J (CHEBI:67661) is a kaurane diterpenoid (CHEBI:53666)
Synonym  Source
1alpha-acetoxy-6beta,7beta,14beta-trihydroxy-7alpha,20-epoxy-ent-kaur-9(11),16-dien-15-oneChEBI
Citations