CHEBI:186936 - Epimedoside

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Epimedoside
ChEBI ID CHEBI:186936
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C37H44O17
Net Charge 0
Average Mass 760.742
Monoisotopic Mass 760.25785
InChI InChI=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
InChIKey ZRGOVKQDBSFQIU-GMDCUXLFSA-N
SMILES O(C1[C@@H](OC(=O)C)C(O[C@@H](OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3CC=C(C)C)C4=CC=C(OC)C=C4)[C@H]1O)C)[C@@H]5OC([C@@H](O)[C@H](O)C5O)COC(=O)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
24844748 ChemSpider
LMPK12112021 LIPID MAPS
View more database links