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CHEBI:69576 - 23-Deoxypaeonenoide A, (rel)-

ChEBI IDCHEBI:69576
ChEBI Name23-Deoxypaeonenoide A, (rel)-
Stars
DefinitionA natural product found in Paeonia rockii subspecies rockii.
Last Modified22 September 2014
DownloadsMolfile
FormulaC28H40O5
Net Charge0
Average Mass456.623
Monoisotopic Mass456.28757
SMILES[H][C@@]12CC(=C)CC[C@]13CC[C@@]1(C)[C@]4(C)CC[C@]5([H])[C@](C)(CC[C@H](O)[C@]5(C)O)[C@@]4([H])[C@]4([H])O[C@]4([H])[C@]21OC3=O
InChIInChI=1S/C28H40O5/c1-15-6-11-27-13-12-25(4)24(3)10-7-16-23(2,9-8-18(29)26(16,5)31)20(24)19-21(32-19)28(25,17(27)14-15)33-22(27)30/h16-21,29,31H,1,6-14H2,2-5H3/t16-,17-,18+,19+,20-,21+,23+,24-,25+,26-,27+,28-/m1/s1
InChIKeySZILVBCYKIZRPO-MOBNGVPASA-N
Species of MetaboliteComponentSourceComments
Paeonia rockii subsp. rockii (ncbitaxon:459179) root (BTO:0001188) PubMed (21954959) Isolated from chloroform soluble extract of air-dried and powdered roots
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)
23-Deoxypaeonenoide A, (rel)- (CHEBI:69576) has role metabolite (CHEBI:25212)
23-Deoxypaeonenoide A, (rel)- (CHEBI:69576) is a γ-lactone (CHEBI:37581)
Synonym  Source
rel-11alpha,12alpha-epoxy-3beta,4beta,13beta-trihydroxy-24,30-dinor-olean-20(29)-en-28,13beta-olideChEBI
Citations