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CHEBI:67653 - Isoadenolin B

ChEBI IDCHEBI:67653
ChEBI NameIsoadenolin B
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[C@]3([H])C(=C)C(=O)[C@]14[C@H]3OC1O[C@@]4(O)[C@@H](O)[C@]3([H])C(C)(C)CC[C@H](OC(C)=O)[C@@]123
InChIInChI=1S/C22H28O7/c1-9-11-5-6-12-20-13(27-10(2)23)7-8-19(3,4)14(20)16(25)22(26)21(12,15(9)24)17(11)28-18(20)29-22/h11-14,16-18,25-26H,1,5-8H2,2-4H3/t11-,12+,13+,14-,16+,17+,18?,20+,21+,22+/m1/s1
InChIKeyOWZOEAKQPTYTKK-FJSXHZHZSA-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 B (CHEBI:67653) has role metabolite (CHEBI:25212)
Isoadenolin B (CHEBI:67653) is a dioxanes (CHEBI:46926)
Synonym  Source
1alpha-acetoxy-6beta,7beta-dihydroxy-7alpha,20:14alpha,20-diepoxy-ent-kaur-16-en-15-oneChEBI
Citations