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CHEBI:186936 - Epimedoside

ChEBI IDCHEBI:186936
ChEBI NameEpimedoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H44O17
Net Charge0
Average Mass760.742
Monoisotopic Mass760.25785
SMILESCOc1ccc(-c2oc3c(CC=C(C)C)c(O)cc(O)c3c(=O)c2O[C@@H]2OC(C)[C@H](OC(C)=O)C(O[C@@H]3OC(COC(C)=O)[C@@H](O)[C@H](O)C3O)[C@@H]2O)cc1
InChIInChI=1S/C37H44O17/c1-15(2)7-12-21-22(40)13-23(41)25-27(43)34(32(52-33(21)25)19-8-10-20(47-6)11-9-19)53-37-30(46)35(31(16(3)49-37)50-18(5)39)54-36-29(45)28(44)26(42)24(51-36)14-48-17(4)38/h7-11,13,16,24,26,28-31,35-37,40-42,44-46H,12,14H2,1-6H3/t16?,24?,26-,28+,29?,30+,31+,35?,36+,37+/m1/s1
InChIKeyZRGOVKQDBSFQIU-GMDCUXLFSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Epimedoside (CHEBI:186936) is a flavonoids (CHEBI:72544)
Epimedoside (CHEBI:186936) is a glycoside (CHEBI:24400)
IUPAC Name 
[(3S,4S,6S)-6-[(2S,3S,5S)-5-acetyloxy-2-[5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-4-oxochromen-3-yl]oxy-3-hydroxy-6-methyloxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate
Manual XrefsDatabases
24844748ChemSpider
LMPK12112021LIPID MAPS