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CHEBI:187493 - Syringetin 3-glucuronide

ChEBI IDCHEBI:187493
ChEBI NameSyringetin 3-glucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H22O14
Net Charge0
Average Mass522.415
Monoisotopic Mass522.10096
SMILESCOc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](C(=O)O)[C@@H](O)C(O)C2O)cc(OC)c1O
InChIInChI=1S/C23H22O14/c1-33-11-3-7(4-12(34-2)14(11)26)19-20(15(27)13-9(25)5-8(24)6-10(13)35-19)36-23-18(30)16(28)17(29)21(37-23)22(31)32/h3-6,16-18,21,23-26,28-30H,1-2H3,(H,31,32)/t16?,17-,18?,21-,23+/m0/s1
InChIKeyDIWWVZPWHQBEMJ-RAJVGBNGSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Syringetin 3-glucuronide (CHEBI:187493) is a flavonoids (CHEBI:72544)
Syringetin 3-glucuronide (CHEBI:187493) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
(2S,3S,6S)-6-[5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
24845182ChemSpider
LMPK12112495LIPID MAPS