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

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ChEBI Name 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 ID CHEBI:169443
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C32H40O20
Net Charge 0
Average Mass 744.652
Monoisotopic Mass 744.21129
InChI InChI=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+
InChIKey IRXJMDXMHJGJGQ-OWOJBTEDSA-N
SMILES O1C(C(O)C(O)C(O)C1OC2=CC(OC3OC(C(O)C(O)C3O)C(O)=O)=CC(=C2)/C=C/C4=C(O)C=C(OC5OC(C(O)C(O)C5O)CO)C=C4)CO
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xref Database
HMDB0134114 HMDB
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