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CHEBI:192025 - (7Z,7'R,8'R)-e-Viniferin 3',5'-diglucoside

ChEBI IDCHEBI:192025
ChEBI Name(7Z,7'R,8'R)-e-Viniferin 3',5'-diglucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H42O16
Net Charge0
Average Mass778.760
Monoisotopic Mass778.24729
SMILESOCC1OC(Oc2cc(OC3OC(CO)C(O)C(O)C3O)cc(C3c4c(/C=C\c5ccc(O)cc5)cc(O)cc4OC3c3ccc(O)cc3)c2)C(O)C(O)C1O
InChIInChI=1S/C40H42O16/c41-16-28-32(46)34(48)36(50)39(55-28)52-25-12-21(13-26(15-25)53-40-37(51)35(49)33(47)29(17-42)56-40)31-30-20(4-1-18-2-7-22(43)8-3-18)11-24(45)14-27(30)54-38(31)19-5-9-23(44)10-6-19/h1-15,28-29,31-51H,16-17H2/b4-1-
InChIKeyRPVPDEHWWUFGBW-RJRFIUFISA-N
Species of MetaboliteComponentSourceComments
Populus trichocarpa (ncbitaxon:3694) root (BTO:0001188) MetaboLights (MTBLS4196)
ChEBI Ontology
Outgoing Relation(s)
(7Z,7'R,8'R)-e-Viniferin 3',5'-diglucoside (CHEBI:192025) is a benzofurans (CHEBI:35259)
IUPAC Name 
2-[3-[6-hydroxy-2-(4-hydroxyphenyl)-4-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzouran-3-yl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Manual XrefsDatabases
HMDB0036322HMDB