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CHEBI:67680 - Rabdoternin E

ChEBI IDCHEBI:67680
ChEBI NameRabdoternin E
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(=C)C(=O)[C@@]1([C@@H]3O)[C@]1(O)O[C@@H](OC)[C@]23[C@@H](O)CCC(C)(C)[C@@]3([H])[C@@H]1O
InChIInChI=1S/C21H30O7/c1-9-10-5-6-11-19-12(22)7-8-18(2,3)13(19)16(25)21(26,28-17(19)27-4)20(11,14(9)23)15(10)24/h10-13,15-17,22,24-26H,1,5-8H2,2-4H3/t10-,11+,12+,13-,15-,16+,17-,19+,20+,21-/m1/s1
InChIKeyUHERRNNNKBWWKU-JVWDHMGKSA-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)
Rabdoternin E (CHEBI:67680) has role metabolite (CHEBI:25212)
Rabdoternin E (CHEBI:67680) is a kaurane diterpenoid (CHEBI:53666)
Manual XrefsDatabases
23311656ChemSpider
Citations