EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:187556 - Isolimocitrol 3-glucoside

ChEBI IDCHEBI:187556
ChEBI NameIsolimocitrol 3-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H26O14
Net Charge0
Average Mass538.458
Monoisotopic Mass538.13226
SMILESCOc1ccc(-c2oc3c(OC)c(O)c(OC)c(O)c3c(=O)c2O[C@H]2O[C@H](CO)[C@@H](O)C(O)C2O)cc1O
InChIInChI=1S/C24H26O14/c1-33-10-5-4-8(6-9(10)26)19-23(38-24-17(31)16(30)13(27)11(7-25)36-24)15(29)12-14(28)21(34-2)18(32)22(35-3)20(12)37-19/h4-6,11,13,16-17,24-28,30-32H,7H2,1-3H3/t11-,13-,16?,17?,24-/m1/s1
InChIKeyAMJOONKCBORCKA-RYUWUWGTSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Isolimocitrol 3-glucoside (CHEBI:187556) is a flavonoids (CHEBI:72544)
Isolimocitrol 3-glucoside (CHEBI:187556) is a glycoside (CHEBI:24400)
IUPAC Name 
5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,8-dimethoxy-3-[(2R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Manual XrefsDatabases
24845814ChemSpider
LMPK12113322LIPID MAPS