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CHEBI:190872 - 3,4,5-trihydroxy-6-[5-hydroxy-3-methoxy-2-(3-methylbut-2-en-1-yl)-4-[2-oxo-2-(2,4,5-trihydroxyphenyl)ethyl]phenoxy]oxane-2-carboxylic acid

ChEBI IDCHEBI:190872
ChEBI Name3,4,5-trihydroxy-6-[5-hydroxy-3-methoxy-2-(3-methylbut-2-en-1-yl)-4-[2-oxo-2-(2,4,5-trihydroxyphenyl)ethyl]phenoxy]oxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H30O13
Net Charge0
Average Mass550.513
Monoisotopic Mass550.16864
SMILESCOc1c(CC(=O)c2cc(O)c(O)cc2O)c(O)cc(OC2OC(C(=O)O)C(O)C(O)C2O)c1CC=C(C)C
InChIInChI=1S/C26H30O13/c1-10(2)4-5-11-19(38-26-22(34)20(32)21(33)24(39-26)25(35)36)9-16(29)13(23(11)37-3)7-14(27)12-6-17(30)18(31)8-15(12)28/h4,6,8-9,20-22,24,26,28-34H,5,7H2,1-3H3,(H,35,36)
InChIKeyCLJZYQSYVFLPRB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530) root (BTO:0001188) MetaboLights (MTBLS4362)
ChEBI Ontology
Outgoing Relation(s)
3,4,5-trihydroxy-6-[5-hydroxy-3-methoxy-2-(3-methylbut-2-en-1-yl)-4-[2-oxo-2-(2,4,5-trihydroxyphenyl)ethyl]phenoxy]oxane-2-carboxylic acid (CHEBI:190872) is a glycoside (CHEBI:24400)
3,4,5-trihydroxy-6-[5-hydroxy-3-methoxy-2-(3-methylbut-2-en-1-yl)-4-[2-oxo-2-(2,4,5-trihydroxyphenyl)ethyl]phenoxy]oxane-2-carboxylic acid (CHEBI:190872) is a stilbenoid (CHEBI:26776)
IUPAC Name 
3,4,5-trihydroxy-6-[5-hydroxy-3-methoxy-2-(3-methylbut-2-enyl)-4-[2-oxo-2-(2,4,5-trihydroxyphenyl)ethyl]phenoxy]oxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0125486HMDB