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CHEBI:188391 - 3,4,5-trihydroxy-6-{[3-hydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}oxane-2-carboxylic acid

ChEBI IDCHEBI:188391
ChEBI Name3,4,5-trihydroxy-6-{[3-hydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}oxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H22O10
Net Charge0
Average Mass434.397
Monoisotopic Mass434.12130
SMILESO=C(O)C1OC(Oc2ccc3c(c2)OC(c2cccc(O)c2)C(O)C3)C(O)C(O)C1O
InChIInChI=1S/C21H22O10/c22-11-3-1-2-10(6-11)18-13(23)7-9-4-5-12(8-14(9)30-18)29-21-17(26)15(24)16(25)19(31-21)20(27)28/h1-6,8,13,15-19,21-26H,7H2,(H,27,28)
InChIKeyRXFNQSPRQDTYGI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) blood serum (BTO:0000133) MetaboLights (MTBLS3886)
ChEBI Ontology
Outgoing Relation(s)
3,4,5-trihydroxy-6-{[3-hydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}oxane-2-carboxylic acid (CHEBI:188391) is a flavonoids (CHEBI:72544)
3,4,5-trihydroxy-6-{[3-hydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}oxane-2-carboxylic acid (CHEBI:188391) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
3,4,5-trihydroxy-6-[[3-hydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-yl]oxy]oxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0135130HMDB