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CHEBI:67652 - Isoadenolin A

ChEBI IDCHEBI:67652
ChEBI NameIsoadenolin A
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@@]12OC3O[C@@]4(O)[C@@H](OC(C)=O)[C@]5([H])C(C)(C)CCC[C@]35[C@]3([H])[C@@H](O)C[C@]1([H])C(=C)[C@@H](O)[C@]234
InChIInChI=1S/C22H30O7/c1-9-11-8-12(24)13-20-7-5-6-19(3,4)14(20)17(27-10(2)23)22(26)21(13,15(9)25)16(11)28-18(20)29-22/h11-18,24-26H,1,5-8H2,2-4H3/t11-,12+,13+,14-,15-,16-,17+,18?,20-,21+,22+/m1/s1
InChIKeyRJFSBZATPUTEOM-RQCRFNMZSA-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 A (CHEBI:67652) has role metabolite (CHEBI:25212)
Isoadenolin A (CHEBI:67652) is a dioxanes (CHEBI:46926)
Synonym  Source
6beta-acetoxy-7beta,11beta,15beta-trihydroxy-7alpha,20:14alpha,20-diepoxy-ent-kaur-16-eneChEBI
Citations