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CHEBI:168979 - Epimedoside E

ChEBI IDCHEBI:168979
ChEBI NameEpimedoside E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H46O19
Net Charge0
Average Mass794.756
Monoisotopic Mass794.26333
SMILESCC(C)=CCc1c(O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)cc(O)c2c(=O)c(O[C@@H]3OC(C)[C@H](O)[C@H](O)C3O[C@@H]3OC[C@@H](O)C(O)C3O)c(-c3ccc(O)cc3)oc12
InChIInChI=1S/C37H46O19/c1-13(2)4-9-17-20(52-36-30(49)27(46)25(44)21(11-38)53-36)10-18(40)22-26(45)33(31(54-32(17)22)15-5-7-16(39)8-6-15)55-37-34(28(47)23(42)14(3)51-37)56-35-29(48)24(43)19(41)12-50-35/h4-8,10,14,19,21,23-25,27-30,34-44,46-49H,9,11-12H2,1-3H3/t14?,19-,21?,23+,24?,25-,27+,28+,29?,30?,34?,35+,36-,37+/m1/s1
InChIKeyXDBZJWHRPCMWOO-CLLDRPRKSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Epimedoside E (CHEBI:168979) is a flavonoids (CHEBI:72544)
Epimedoside E (CHEBI:168979) is a glycoside (CHEBI:24400)
IUPAC Name 
3-[(2S,4S,5R)-4,5-dihydroxy-6-methyl-3-[(2S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Manual XrefsDatabases
24844462ChemSpider
LMPK12111718LIPID MAPS