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CHEBI:67656 - Isoadenolin E, (rel)-

ChEBI IDCHEBI:67656
ChEBI NameIsoadenolin E, (rel)-
Stars
DefinitionA natural product found in Isodon adenolomus.
Last Modified22 September 2014
DownloadsMolfile
FormulaC21H32O7
Net Charge0
Average Mass396.480
Monoisotopic Mass396.21480
SMILES[H][C@@]12[C@@H](O)C[C@]3([H])C(=C)[C@@H](O)[C@@]1([C@@H]3O)[C@@]1(O)O[C@H](OC)[C@]23CCCC(C)(C)[C@@]3([H])[C@@H]1O
InChIInChI=1S/C21H32O7/c1-9-10-8-11(22)12-19-7-5-6-18(2,3)13(19)16(25)21(26,28-17(19)27-4)20(12,14(9)23)15(10)24/h10-17,22-26H,1,5-8H2,2-4H3/t10-,11+,12+,13-,14-,15-,16+,17+,19-,20+,21+/m1/s1
InChIKeyMQFOWMSWYZXMPL-JXMVGPHCSA-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 E, (rel)- (CHEBI:67656) has role metabolite (CHEBI:25212)
Isoadenolin E, (rel)- (CHEBI:67656) is a kaurane diterpenoid (CHEBI:53666)
Synonym  Source
rel-20(S)-6beta,7beta,11beta,14beta,15beta-pentahydroxy-20-methoxy-7alpha,20-epoxy-ent-kaur-16-eneChEBI
Citations