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CHEBI:67679 - Rabdoternin A

ChEBI IDCHEBI:67679
ChEBI NameRabdoternin A
Stars
DefinitionA natural product found in Isodon adenolomus.
Last Modified22 September 2014
DownloadsMolfile
FormulaC20H28O6
Net Charge0
Average Mass364.438
Monoisotopic Mass364.18859
SMILES[H][C@@]12CC[C@]3([H])C(=C)[C@@H](O)[C@@]1([C@@H]3O)[C@]1(O)OC(=O)[C@]23CCCC(C)(C)[C@@]3([H])[C@@H]1O
InChIInChI=1S/C20H28O6/c1-9-10-5-6-11-18-8-4-7-17(2,3)12(18)15(23)20(25,26-16(18)24)19(11,13(9)21)14(10)22/h10-15,21-23,25H,1,4-8H2,2-3H3/t10-,11+,12-,13-,14-,15+,18-,19+,20-/m1/s1
InChIKeyDWBNAAUVBIEEOE-PGBLAOAPSA-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 A (CHEBI:67679) has role metabolite (CHEBI:25212)
Rabdoternin A (CHEBI:67679) is a diterpene lactone (CHEBI:49193)
Synonym  Source
ent-Kaur-16-en-20-oic acid, 6,7,7,14,15-pentahydroxy-, 20,7-lactone, (6beta,7alpha,14R,15beta)-ChEBI
Registry NumbersSources
CAS:128887-80-9ChemIDplus
Citations