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CHEBI:67659 - Isoadenolin H

ChEBI IDCHEBI:67659
ChEBI NameIsoadenolin H
Stars
DefinitionA natural product found in Isodon adenolomus.
Last Modified22 September 2014
DownloadsMolfile
FormulaC23H32O8
Net Charge0
Average Mass436.501
Monoisotopic Mass436.20972
SMILES[H][C@@]12CC[C@]3([H])C(=C)C(=O)[C@@]1([C@@H]3O)[C@@]1(O)O[C@@H](OC)[C@]23[C@@H](OC(C)=O)CCC(C)(C)[C@@]3([H])[C@@H]1O
InChIInChI=1S/C23H32O8/c1-10-12-6-7-13-21-14(30-11(2)24)8-9-20(3,4)15(21)18(27)23(28,31-19(21)29-5)22(13,16(10)25)17(12)26/h12-15,17-19,26-28H,1,6-9H2,2-5H3/t12-,13+,14+,15-,17-,18+,19-,21+,22+,23+/m1/s1
InChIKeyNFFBZRSGDIZVNS-FULGKMPPSA-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 H (CHEBI:67659) has role metabolite (CHEBI:25212)
Isoadenolin H (CHEBI:67659) is a kaurane diterpenoid (CHEBI:53666)
Synonym  Source
20(R)-1alpha-acetoxy-6beta,7beta,14beta-trihydroxy-20-methoxy-7alpha,20-epoxy-ent-kaur-16-en-15-oneChEBI
Citations