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

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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 (7Z,7'R,8'R)-e-Viniferin 3',5'-diglucoside
ChEBI ID CHEBI:192025
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C40H42O16
Net Charge 0
Average Mass 778.760
Monoisotopic Mass 778.24729
InChI InChI=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-
InChIKey RPVPDEHWWUFGBW-RJRFIUFISA-N
SMILES O1C(C(O)C(O)C(O)C1OC2=CC(C3C(OC=4C3=C(C=C(O)C4)/C=C\C5=CC=C(O)C=C5)C6=CC=C(O)C=C6)=CC(OC7OC(C(O)C(O)C7O)CO)=C2)CO
Metabolite of Species Details
Populus trichocarpa (NCBI:txid3694) Found in root (BTO:0001188). See: MetaboLights Study
ChEBI Ontology
Outgoing (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 Xref Database
HMDB0036322 HMDB
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