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CHEBI:190889 - 3,4,5-trihydroxy-6-({2-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]propanoyl}oxy)oxane-2-carboxylic acid

ChEBI IDCHEBI:190889
ChEBI Name3,4,5-trihydroxy-6-({2-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]propanoyl}oxy)oxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H26O10
Net Charge0
Average Mass426.418
Monoisotopic Mass426.15260
SMILESCC(C)=CCc1cc(CC(O)C(=O)OC2OC(C(=O)O)C(O)C(O)C2O)ccc1O
InChIInChI=1S/C20H26O10/c1-9(2)3-5-11-7-10(4-6-12(11)21)8-13(22)19(28)30-20-16(25)14(23)15(24)17(29-20)18(26)27/h3-4,6-7,13-17,20-25H,5,8H2,1-2H3,(H,26,27)
InChIKeyDEQVNUVRHILXNG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530) root (BTO:0001188) MetaboLights (MTBLS4362)
ChEBI Ontology
Outgoing Relation(s)
3,4,5-trihydroxy-6-({2-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]propanoyl}oxy)oxane-2-carboxylic acid (CHEBI:190889) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
3,4,5-trihydroxy-6-[2-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]propanoyl]oxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0133207HMDB