EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:190777 - 3,4,5-trihydroxy-6-{3-hydroxy-2-[(1E)-4-hydroxy-3-methylbut-1-en-1-yl]-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenoxy}oxane-2-carboxylic acid

ChEBI IDCHEBI:190777
ChEBI Name3,4,5-trihydroxy-6-{3-hydroxy-2-[(1E)-4-hydroxy-3-methylbut-1-en-1-yl]-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenoxy}oxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H28O10
Net Charge0
Average Mass488.489
Monoisotopic Mass488.16825
SMILESCC(/C=C/c1c(O)cc(/C=C/c2ccc(O)cc2)cc1OC1OC(C(=O)O)C(O)C(O)C1O)CO
InChIInChI=1S/C25H28O10/c1-13(12-26)2-9-17-18(28)10-15(4-3-14-5-7-16(27)8-6-14)11-19(17)34-25-22(31)20(29)21(30)23(35-25)24(32)33/h2-11,13,20-23,25-31H,12H2,1H3,(H,32,33)/b4-3+,9-2+
InChIKeyWYFPUFDYZNZBDD-KSMJZWKFSA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530) root (BTO:0001188) MetaboLights (MTBLS4362)
ChEBI Ontology
Outgoing Relation(s)
3,4,5-trihydroxy-6-{3-hydroxy-2-[(1E)-4-hydroxy-3-methylbut-1-en-1-yl]-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenoxy}oxane-2-carboxylic acid (CHEBI:190777) is a glycoside (CHEBI:24400)
3,4,5-trihydroxy-6-{3-hydroxy-2-[(1E)-4-hydroxy-3-methylbut-1-en-1-yl]-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenoxy}oxane-2-carboxylic acid (CHEBI:190777) is a stilbenoid (CHEBI:26776)
IUPAC Name 
3,4,5-trihydroxy-6-[3-hydroxy-2-[(E)-4-hydroxy-3-methylbut-1-enyl]-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenoxy]oxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0129024HMDB