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CHEBI:67686 - Adenolin E

ChEBI IDCHEBI:67686
ChEBI NameAdenolin E
Stars
DefinitionA natural product found in Isodon adenolomus.
Last Modified22 September 2014
DownloadsMolfile
FormulaC23H34O8
Net Charge0
Average Mass438.517
Monoisotopic Mass438.22537
SMILES[H][C@]12C[C@H](O)[C@]3([H])[C@@](C1)(C(=O)[C@@H]2COC)[C@]1(O)OC[C@]32[C@@H](OC(C)=O)CCC(C)(C)[C@@]2([H])[C@@H]1O
InChIInChI=1S/C23H34O8/c1-11(24)31-15-5-6-20(2,3)17-19(27)23(28)22-8-12(13(9-29-4)18(22)26)7-14(25)16(22)21(15,17)10-30-23/h12-17,19,25,27-28H,5-10H2,1-4H3/t12-,13+,14-,15-,16-,17+,19-,21-,22-,23+/m0/s1
InChIKeyROMQEKCQDQVNAP-FMTDOCLHSA-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)
Adenolin E (CHEBI:67686) has role metabolite (CHEBI:25212)
Adenolin E (CHEBI:67686) is a kaurane diterpenoid (CHEBI:53666)
Citations