CHEBI:168445 - 3,4,5-trihydroxy-6-{4-[(E)-2-{2,3,5-trihydroxy-4-[(1E)-3-methylbut-1-en-1-yl]phenyl}ethenyl]phenoxy}oxane-2-carboxylic acid

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ChEBI Name 3,4,5-trihydroxy-6-{4-[(E)-2-{2,3,5-trihydroxy-4-[(1E)-3-methylbut-1-en-1-yl]phenyl}ethenyl]phenoxy}oxane-2-carboxylic acid
ChEBI ID CHEBI:168445
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H28O10
Net Charge 0
Average Mass 488.489
Monoisotopic Mass 488.16825
InChI InChI=1S/C25H28O10/c1-12(2)3-10-16-17(26)11-14(18(27)19(16)28)7-4-13-5-8-15(9-6-13)34-25-22(31)20(29)21(30)23(35-25)24(32)33/h3-12,20-23,25-31H,1-2H3,(H,32,33)/b7-4+,10-3+
InChIKey CLDXTXGKIMYQJW-HVXBLDCGSA-N
SMILES O1C(C(O)C(O)C(O)C1OC2=CC=C(C=C2)/C=C/C=3C(O)=C(O)C(=C(O)C3)\C=C\C(C)C)C(O)=O
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-{4-[(E)-2-{2,3,5-trihydroxy-4-[(1E)-3-methylbut-1-en-1-yl]phenyl}ethenyl]phenoxy}oxane-2-carboxylic acid (CHEBI:168445) is a glycoside (CHEBI:24400)
3,4,5-trihydroxy-6-{4-[(E)-2-{2,3,5-trihydroxy-4-[(1E)-3-methylbut-1-en-1-yl]phenyl}ethenyl]phenoxy}oxane-2-carboxylic acid (CHEBI:168445) is a stilbenoid (CHEBI:26776)
IUPAC Name
3,4,5-trihydroxy-6-[4-[(E)-2-[2,3,5-trihydroxy-4-[(E)-3-methylbut-1-enyl]phenyl]ethenyl]phenoxy]oxane-2-carboxylic acid
Manual Xref Database
HMDB0129002 HMDB
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