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CHEBI:144389 - Eleutheroside E

ChEBI IDCHEBI:144389
ChEBI NameEleutheroside E
Stars
Submittermwilliams
DownloadsMolfile
FormulaC34H46O18
Net Charge0
Average Mass742.724
Monoisotopic Mass742.26841
SMILESCOc1cc([C@H]2OC[C@@H]3[C@@H]2CO[C@H]3c2cc(OC)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C34H46O18/c1-43-17-5-13(6-18(44-2)31(17)51-33-27(41)25(39)23(37)21(9-35)49-33)29-15-11-48-30(16(15)12-47-29)14-7-19(45-3)32(20(8-14)46-4)52-34-28(42)26(40)24(38)22(10-36)50-34/h5-8,15-16,21-30,33-42H,9-12H2,1-4H3/t15-,16+,21-,22-,23-,24-,25+,26+,27-,28-,29+,30-,33+,34+/m1/s1
InChIKeyFFDULTAFAQRACT-JSGUJALWSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) liver (BTO:0000759) MetaboLights (MTBLS586) Strain: BALB/c [EFO:0000602]
ChEBI Ontology
Outgoing Relation(s)
Eleutheroside E (CHEBI:144389) is a glycoside (CHEBI:24400)
Eleutheroside E (CHEBI:144389) is a lignan (CHEBI:25036)
IUPAC Name 
(2S,3R,4S,5S,6R)-2-[4-[(3S,3aR,6R,6aS)-6-[3,5-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-1,3,3a,4,6,6a-hexahydrouro[3,4-c]uran-3-yl]-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Manual XrefsDatabases
C20786KEGG COMPOUND