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

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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 Sucrose 1',4'-(4,4'-dihydroxy-3,3'-dimethoxy-b-truxinate)
ChEBI ID CHEBI:191581
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C32H38O17
Net Charge 0
Average Mass 694.639
Monoisotopic Mass 694.21090
InChI InChI=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
InChIKey TVWBWDIJOLFFCK-UHFFFAOYSA-N
SMILES O1C(=O)C2C(C(C2C(OCC3(OC(C1C3O)CO)OC4OC(C(O)C(O)C4O)CO)=O)C5=CC(OC)=C(O)C=C5)C6=CC(OC)=C(O)C=C6
Metabolite of Species Details
Ulmus parvifolia (NCBI:txid63058) Found in seed (BTO:0001226). See: MetaboLights Study
Ulmus parvifolia (NCBI:txid63058) Found in bark (BTO:0001301). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xref Database
HMDB0036978 HMDB
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