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CHEBI:185211 - Syringetin 3-(6''-acetylglucoside)

ChEBI IDCHEBI:185211
ChEBI NameSyringetin 3-(6''-acetylglucoside)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H26O14
Net Charge0
Average Mass550.469
Monoisotopic Mass550.13226
SMILESCOc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@H]2O[C@H](COC(C)=O)[C@@H](O)C(O)C2O)cc(OC)c1O
InChIInChI=1S/C25H26O14/c1-9(26)36-8-16-19(30)21(32)22(33)25(38-16)39-24-20(31)17-12(28)6-11(27)7-13(17)37-23(24)10-4-14(34-2)18(29)15(5-10)35-3/h4-7,16,19,21-22,25,27-30,32-33H,8H2,1-3H3/t16-,19-,21?,22?,25-/m1/s1
InChIKeyIOLRVMUSXRTPCM-BBHKNHPTSA-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-(6''-acetylglucoside) (CHEBI:185211) is a flavonoids (CHEBI:72544)
Syringetin 3-(6''-acetylglucoside) (CHEBI:185211) is a glycoside (CHEBI:24400)
IUPAC Name 
[(2R,3S,6R)-6-[5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate
Manual XrefsDatabases
24845178ChemSpider
LMPK12112491LIPID MAPS