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CHEBI:69590 - 11alpha,12alpha-epoxy-3beta,23-dihydroxy-30-nor-olean-20(29)-en-28,13beta-olide

ChEBI IDCHEBI:69590
ChEBI Name11alpha,12alpha-epoxy-3beta,23-dihydroxy-30-nor-olean-20(29)-en-28,13beta-olide
Stars
DefinitionA natural product found in Paeonia rockii subspecies rockii.
Last Modified22 September 2014
DownloadsMolfile
FormulaC29H42O5
Net Charge0
Average Mass470.650
Monoisotopic Mass470.30322
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)CO)[C@@]4([H])[C@]4([H])O[C@]4([H])[C@]21OC3=O
InChIInChI=1S/C29H42O5/c1-16-6-11-28-13-12-27(5)26(4)10-7-17-24(2,9-8-19(31)25(17,3)15-30)21(26)20-22(33-20)29(27,18(28)14-16)34-23(28)32/h17-22,30-31H,1,6-15H2,2-5H3/t17-,18-,19+,20+,21-,22+,24+,25+,26-,27+,28+,29-/m1/s1
InChIKeyWYALGIWVJKDMAS-FJHCYMANSA-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)
11alpha,12alpha-epoxy-3beta,23-dihydroxy-30-nor-olean-20(29)-en-28,13beta-olide (CHEBI:69590) has role metabolite (CHEBI:25212)
11alpha,12alpha-epoxy-3beta,23-dihydroxy-30-nor-olean-20(29)-en-28,13beta-olide (CHEBI:69590) is a γ-lactone (CHEBI:37581)
Citations