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CHEBI:180769 - 6-{[3,5-dihydroxy-2-(3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)-4-oxo-4H-chromen-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:180769
ChEBI Name6-{[3,5-dihydroxy-2-(3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)-4-oxo-4H-chromen-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H26O13
Net Charge0
Average Mass546.481
Monoisotopic Mass546.13734
SMILESCC1(C)Oc2ccc(-c3oc4cc(OC5OC(C(=O)O)C(O)C(O)C5O)cc(O)c4c(=O)c3O)cc2CC1O
InChIInChI=1S/C26H26O13/c1-26(2)15(28)6-10-5-9(3-4-13(10)39-26)22-19(31)17(29)16-12(27)7-11(8-14(16)37-22)36-25-21(33)18(30)20(32)23(38-25)24(34)35/h3-5,7-8,15,18,20-21,23,25,27-28,30-33H,6H2,1-2H3,(H,34,35)
InChIKeyRPGMTUBMIBCHRW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) Article
ChEBI Ontology
Outgoing Relation(s)
6-{[3,5-dihydroxy-2-(3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)-4-oxo-4H-chromen-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:180769) is a flavonoids (CHEBI:72544)
6-{[3,5-dihydroxy-2-(3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)-4-oxo-4H-chromen-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:180769) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
6-[3,5-dihydroxy-2-(3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0126012HMDB