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CHEBI:169443 - 3,4,5-trihydroxy-6-{3-[(E)-2-(2-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid

ChEBI IDCHEBI:169443
ChEBI Name3,4,5-trihydroxy-6-{3-[(E)-2-(2-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H40O20
Net Charge0
Average Mass744.652
Monoisotopic Mass744.21129
SMILESO=C(O)C1OC(Oc2cc(/C=C/c3ccc(OC4OC(CO)C(O)C(O)C4O)cc3O)cc(OC3OC(CO)C(O)C(O)C3O)c2)C(O)C(O)C1O
InChIInChI=1S/C32H40O20/c33-9-17-19(36)21(38)25(42)30(50-17)47-13-4-3-12(16(35)8-13)2-1-11-5-14(48-31-26(43)22(39)20(37)18(10-34)51-31)7-15(6-11)49-32-27(44)23(40)24(41)28(52-32)29(45)46/h1-8,17-28,30-44H,9-10H2,(H,45,46)/b2-1+
InChIKeyIRXJMDXMHJGJGQ-OWOJBTEDSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
3,4,5-trihydroxy-6-{3-[(E)-2-(2-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid (CHEBI:169443) is a glycoside (CHEBI:24400)
3,4,5-trihydroxy-6-{3-[(E)-2-(2-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)ethenyl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}oxane-2-carboxylic acid (CHEBI:169443) is a stilbenoid (CHEBI:26776)
IUPAC Name 
3,4,5-trihydroxy-6-[3-[(E)-2-[2-hydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethenyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]oxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0134114HMDB