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CHEBI:67654 - Isoadenolin C

ChEBI IDCHEBI:67654
ChEBI NameIsoadenolin C
Stars
DefinitionA natural product found in Isodon adenolomus.
Last Modified22 September 2014
DownloadsMolfile
FormulaC21H30O7
Net Charge0
Average Mass394.464
Monoisotopic Mass394.19915
SMILES[H][C@@]12CC[C@]3([H])[C@]4(C(=O)[C@@H]1COC)[C@H]2OC1O[C@@]4(O)[C@@H](O)[C@]2([H])C(C)(C)CC[C@H](O)[C@@]132
InChIInChI=1S/C21H30O7/c1-18(2)7-6-12(22)19-11-5-4-9-10(8-26-3)14(23)20(11)16(9)27-17(19)28-21(20,25)15(24)13(18)19/h9-13,15-17,22,24-25H,4-8H2,1-3H3/t9-,10-,11+,12+,13-,15+,16+,17?,19+,20+,21+/m1/s1
InChIKeyYJQFQYKJRHXIQA-QCTFDJAGSA-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 C (CHEBI:67654) has role metabolite (CHEBI:25212)
Isoadenolin C (CHEBI:67654) is a dioxanes (CHEBI:46926)
Synonym  Source
16(S)-1alpha,6beta,7beta-trihydroxy-17-methoxy-7alpha,20:14alpha,20-diepoxy-ent-kaur-15-oneChEBI
Citations