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CHEBI:71625 - sarmentologenin

ChEBI IDCHEBI:71625
ChEBI Namesarmentologenin
Stars
DefinitionA steroid lactone that is card-20(22)-enolide substituted by hydroxy groups at positions 3, 5, 11, 14 and 19.
Last Modified17 January 2013
Submitternamrata
DownloadsMolfile
FormulaC23H34O7
Net Charge0
Average Mass422.518
Monoisotopic Mass422.23045
SMILES[H][C@@]12CC[C@]3(O)C[C@@H](O)CC[C@]3(CO)[C@@]1([H])[C@H](O)C[C@@]1(C)[C@]2(O)CC[C@]1([H])C1=CC(=O)OC1
InChIInChI=1S/C23H34O7/c1-20-10-17(26)19-16(3-6-22(28)9-14(25)2-5-21(19,22)12-24)23(20,29)7-4-15(20)13-8-18(27)30-11-13/h8,14-17,19,24-26,28-29H,2-7,9-12H2,1H3/t14-,15+,16+,17+,19+,20+,21-,22-,23-/m0/s1
InChIKeyMLPFCOJXAGAUJR-GBLUZQOCSA-N
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)
sarmentologenin (CHEBI:71625) has parent hydride 5β-cardanolide (CHEBI:35542)
sarmentologenin (CHEBI:71625) has role metabolite (CHEBI:25212)
sarmentologenin (CHEBI:71625) is a butenolide (CHEBI:50523)
sarmentologenin (CHEBI:71625) is a hydroxy steroid (CHEBI:35350)
sarmentologenin (CHEBI:71625) is a steroid lactone (CHEBI:26766)
Incoming Relation(s)
elaeodendroside V (CHEBI:65830) has functional parent sarmentologenin (CHEBI:71625)
IUPAC Name 
(3β,5β,11α)-3,5,11,14,19-pentahydroxycard-20(22)-enolide
Registry NumbersSources
Reaxys:56600Reaxys
CAS:6785-68-8ChemIDplus