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CHEBI:191581 - Sucrose 1',4'-(4,4'-dihydroxy-3,3'-dimethoxy-b-truxinate)

ChEBI IDCHEBI:191581
ChEBI NameSucrose 1',4'-(4,4'-dihydroxy-3,3'-dimethoxy-b-truxinate)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H38O17
Net Charge0
Average Mass694.639
Monoisotopic Mass694.21090
SMILESCOc1cc(C2C3C(=O)OCC4(OC5OC(CO)C(O)C(O)C5O)OC(CO)C(OC(=O)C3C2c2ccc(O)c(OC)c2)C4O)ccc1O
InChIInChI=1S/C32H38O17/c1-43-16-7-12(3-5-14(16)35)20-21(13-4-6-15(36)17(8-13)44-2)23-22(20)29(41)45-11-32(28(40)27(47-30(23)42)19(10-34)48-32)49-31-26(39)25(38)24(37)18(9-33)46-31/h3-8,18-28,31,33-40H,9-11H2,1-2H3
InChIKeyTVWBWDIJOLFFCK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
seed (BTO:0001226) MetaboLights (MTBLS4572)
bark (BTO:0001301) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
Sucrose 1',4'-(4,4'-dihydroxy-3,3'-dimethoxy-b-truxinate) (CHEBI:191581) is a glycoside (CHEBI:24400)
Sucrose 1',4'-(4,4'-dihydroxy-3,3'-dimethoxy-b-truxinate) (CHEBI:191581) is a stilbenoid (CHEBI:26776)
IUPAC Name 
14-hydroxy-5,6-bis(4-hydroxy-3-methoxyphenyl)-13-(hydroxymethyl)-11-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,9,12-trioxatricyclo[9.2.1.04,7]tetradecane-3,8-dione
Manual XrefsDatabases
HMDB0036978HMDB