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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

ChEBI IDCHEBI:168445
ChEBI Name3,4,5-trihydroxy-6-{4-[(E)-2-{2,3,5-trihydroxy-4-[(1E)-3-methylbut-1-en-1-yl]phenyl}ethenyl]phenoxy}oxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H28O10
Net Charge0
Average Mass488.489
Monoisotopic Mass488.16825
SMILESCC(C)/C=C/c1c(O)cc(/C=C/c2ccc(OC3OC(C(=O)O)C(O)C(O)C3O)cc2)c(O)c1O
InChIInChI=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+
InChIKeyCLDXTXGKIMYQJW-HVXBLDCGSA-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-{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 XrefsDatabases
HMDB0129002HMDB