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CHEBI:69585 - 3beta,4beta,23-trihydroxy-24,30-dinor-olean-12,20(29)-dien-28-oic acid

ChEBI IDCHEBI:69585
ChEBI Name3beta,4beta,23-trihydroxy-24,30-dinor-olean-12,20(29)-dien-28-oic acid
Stars
DefinitionA natural product found in Paeonia rockii subspecies rockii.
Last Modified22 September 2014
DownloadsMolfile
FormulaC28H42O5
Net Charge0
Average Mass458.639
Monoisotopic Mass458.30322
SMILES[H][C@]12CC=C3[C@]4([H])CC(=C)CC[C@]4(C(=O)O)CC[C@@]3(C)[C@]1(C)CC[C@]1([H])[C@]2(C)CC[C@H](O)[C@@]1(O)CO
InChIInChI=1S/C28H42O5/c1-17-7-12-27(23(31)32)14-13-25(3)18(19(27)15-17)5-6-20-24(2)10-9-22(30)28(33,16-29)21(24)8-11-26(20,25)4/h5,19-22,29-30,33H,1,6-16H2,2-4H3,(H,31,32)/t19-,20+,21+,22-,24+,25+,26+,27-,28+/m0/s1
InChIKeyCWGWAPNPOADHFH-KZXOKDQESA-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)
3beta,4beta,23-trihydroxy-24,30-dinor-olean-12,20(29)-dien-28-oic acid (CHEBI:69585) has role metabolite (CHEBI:25212)
3beta,4beta,23-trihydroxy-24,30-dinor-olean-12,20(29)-dien-28-oic acid (CHEBI:69585) is a hydroxy steroid (CHEBI:35350)
Citations