EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:746992 - steviol acyl glucuronide

Default Structure
ChEBI IDCHEBI:746992
ChEBI Namesteviol acyl glucuronide
Stars
Last Modified2 December 2025
SubmitterR. Stephan
DownloadsMolfile
FormulaC26H37O9
Net Charge-1
Average Mass493.573
Monoisotopic Mass493.24431
SMILESC=C1C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O[C@@H]4O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]4O)[C@@H]2CC[C@]1(O)C3
InChIInChI=1S/C26H38O9/c1-13-11-25-9-5-14-23(2,15(25)6-10-26(13,33)12-25)7-4-8-24(14,3)22(32)35-21-18(29)16(27)17(28)19(34-21)20(30)31/h14-19,21,27-29,33H,1,4-12H2,2-3H3,(H,30,31)/p-1/t14-,15-,16-,17-,18+,19-,21-,23+,24+,25+,26-/m0/s1
InChIKeyUWKMRMSZJBDGGY-MKXZEIDCSA-M
ChEBI Ontology
Outgoing Relation(s)
steviol acyl glucuronide (CHEBI:746992) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(1R,4S,5R,9S,10R,13S)-13-hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carbonyl]oxyoxane-2-carboxylate