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CHEBI:188375 - 3,4,5-trihydroxy-6-{[4-hydroxy-1-(7-methoxy-2-oxo-2H-chromen-8-yl)-3-methylidenebutan-2-yl]oxy}oxane-2-carboxylic acid

ChEBI IDCHEBI:188375
ChEBI Name3,4,5-trihydroxy-6-{[4-hydroxy-1-(7-methoxy-2-oxo-2H-chromen-8-yl)-3-methylidenebutan-2-yl]oxy}oxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H24O11
Net Charge0
Average Mass452.412
Monoisotopic Mass452.13186
SMILESC=C(CO)C(Cc1c(OC)ccc2ccc(=O)oc12)OC1OC(C(=O)O)C(O)C(O)C1O
InChIInChI=1S/C21H24O11/c1-9(8-22)13(30-21-17(26)15(24)16(25)19(32-21)20(27)28)7-11-12(29-2)5-3-10-4-6-14(23)31-18(10)11/h3-6,13,15-17,19,21-22,24-26H,1,7-8H2,2H3,(H,27,28)
InChIKeyCGKVKUZCZMAZLG-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-{[4-hydroxy-1-(7-methoxy-2-oxo-2H-chromen-8-yl)-3-methylidenebutan-2-yl]oxy}oxane-2-carboxylic acid (CHEBI:188375) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
3,4,5-trihydroxy-6-[3-(hydroxymethyl)-1-(7-methoxy-2-oxochromen-8-yl)but-3-en-2-yl]oxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0132712HMDB