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CHEBI:190907 - 6-{[5,7-dihydroxy-2-(3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)-4-oxo-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:190907
ChEBI Name6-{[5,7-dihydroxy-2-(3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)-4-oxo-4H-chromen-3-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(O)cc(O)c4c(=O)c3OC3OC(C(=O)O)C(O)C(O)C3O)cc2CC1O
InChIInChI=1S/C26H26O13/c1-26(2)15(29)6-10-5-9(3-4-13(10)39-26)21-22(17(30)16-12(28)7-11(27)8-14(16)36-21)37-25-20(33)18(31)19(32)23(38-25)24(34)35/h3-5,7-8,15,18-20,23,25,27-29,31-33H,6H2,1-2H3,(H,34,35)
InChIKeySWOMXLWHYVUKBJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530) root (BTO:0001188) MetaboLights (MTBLS4362)
ChEBI Ontology
Outgoing Relation(s)
6-{[5,7-dihydroxy-2-(3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)-4-oxo-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:190907) is a flavonoids (CHEBI:72544)
6-{[5,7-dihydroxy-2-(3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)-4-oxo-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:190907) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
6-[5,7-dihydroxy-2-(3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0126014HMDB