CHEBI:71625 - sarmentologenin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name sarmentologenin
ChEBI ID CHEBI:71625
Definition A steroid lactone that is card-20(22)-enolide substituted by hydroxy groups at positions 3, 5, 11, 14 and 19.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C23H34O7
Net Charge 0
Average Mass 422.51190
Monoisotopic Mass 422.23045
InChI InChI=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
InChIKey MLPFCOJXAGAUJR-GBLUZQOCSA-N
SMILES [H][C@@]1(CC[C@]2(O)[C@]3([H])CC[C@]4(O)C[C@@H](O)CC[C@]4(CO)[C@@]3([H])[C@H](O)C[C@]12C)C1=CC(=O)OC1
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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 Numbers Types Sources
56600 Reaxys Registry Number Reaxys
6785-68-8 CAS Registry Number ChemIDplus
Last Modified
17 January 2013