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CHEBI:69586 - Paeonenoide A

ChEBI IDCHEBI:69586
ChEBI NamePaeonenoide A
Stars
DefinitionA natural product found in Paeonia rockii subspecies rockii.
Last Modified22 September 2014
DownloadsMolfile
FormulaC28H40O6
Net Charge0
Average Mass472.622
Monoisotopic Mass472.28249
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(O)CO)[C@@]4([H])[C@]4([H])O[C@]4([H])[C@]21OC3=O
InChIInChI=1S/C28H40O6/c1-15-5-10-26-12-11-25(4)24(3)9-6-16-23(2,8-7-18(30)27(16,32)14-29)20(24)19-21(33-19)28(25,17(26)13-15)34-22(26)31/h16-21,29-30,32H,1,5-14H2,2-4H3/t16-,17-,18+,19+,20-,21+,23+,24-,25+,26+,27-,28-/m1/s1
InChIKeyQUSTXILFWOVTCK-WEEWHIELSA-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)
Paeonenoide A (CHEBI:69586) has role metabolite (CHEBI:25212)
Paeonenoide A (CHEBI:69586) is a hydroxy steroid (CHEBI:35350)
Citations