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Displaying metabolites 1 - 25 of 114100 in total
HMDB ID
CAS Number
Name StructureFormula
Average Mass
Monoisotopic Mass
Biospecimen Location
BosutinibThumbC26H29Cl2N5O3

530.446
529.164745233
    β-L-IdoA2S-(1→4)-α-D-GlcNAc3S-(1→4)-β-D-GlcA(1→3)-β-D-Gal(1→3)-β-D-Gal(1→4)-D-XylThumbC37H59NO38S2

    1189.97
    1189.215648812
      β-L-IdoA-(1→4)-α-D-GlcNAc3S-(1→4)-β-D-GlcA(1→3)-β-D-Gal(1→3)-β-D-Gal(1→4)-D-XylThumbC37H59NO35S

      1109.91
      1109.258833778
        α-D-GlcNAc3S-(1→4)-β-D-GlcA(1→3)-β-D-Gal(1→3)-β-D-Gal(1→4)-D-XylThumbC31H51NO29S

        933.79
        933.2267458
          {[8-(2,4-dihydroxyphenyl)-7-(3,7-dimethylocta-2,6-dien-1-yl)-5-hydroxy-2-methyl-6-oxo-2H,6H-pyrano[3,2-g]chromen-2-yl]methoxy}sulfonic acidThumbC30H32O10S

          584.64
          584.171618404
            {[8-(2,4-dihydroxyphenyl)-5-hydroxy-2-methyl-6-oxo-2H,6H-pyrano[3,2-g]chromen-2-yl]methoxy}sulfonic acidThumbC20H16O10S

            448.4
            448.046417889
              {[7-hydroxy-6-(7-hydroxy-4-oxo-4H-chromen-3-yl)-5-methoxy-2-methyl-3,4-dihydro-2H-1-benzopyran-2-yl]methoxy}sulfonic acidThumbC21H20O10S

              464.44
              464.077718018
                {[6-({7-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-2-(3,4-dihydroxyphenyl)-5-oxo-5H-chromen-3-yl}oxy)-3,4,5-trihydroxyoxan-2-yl]methyl}[3-(3,4-dihydroxyphenyl)-1-hydroxyprop-2-en-1-ylidene]oxidaniumThumbC36H35O20

                787.655
                787.171619947
                  {[6-({5-[(6-{[(2-carboxyacetyl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl)oxy]-7-hydroxy-2-(4-oxocyclohexa-2,5-dien-1-ylidene)-2H-chromen-3-yl}oxy)-3,4,5-trihydroxyoxan-2-yl]methyl}[1-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-ylidene]oxidaniumThumbC39H39O20

                  827.72
                  827.202920076
                    {[6-({5-[(6-{[(2-carboxyacetyl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl)oxy]-7-hydroxy-2-(4-oxocyclohexa-2,5-dien-1-ylidene)-2H-chromen-3-yl}oxy)-3,4,5-trihydroxyoxan-2-yl]methyl}[1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-ylidene]oxidaniumThumbC40H41O21

                    857.746
                    857.21348476
                      {[6-({3-[3,5-dimethoxy-4-(sulfooxy)phenyl]-11-hydroxy-7-(4-oxocyclohexa-2,5-dien-1-ylidene)-2,8-dioxatricyclo[7.3.1.0⁵,¹³]trideca-1(12),3,5,9(13),10-pentaen-4-yl}oxy)-3,4,5-trihydroxyoxan-2-yl]methyl}oxidaniumThumbC31H28O16S

                      688.61
                      688.109805996
                        {[6-({2-[3,5-dihydroxy-4-(sulfooxy)phenyl]-7-hydroxy-5-oxo-5H-chromen-3-yl}oxy)-3,4,5-trihydroxyoxan-2-yl]methyl}oxidaniumThumbC21H21O15S

                        545.44
                        545.05956757
                          {[6-(5,7-dihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)-7-hydroxy-2-(4-methylpent-3-en-1-yl)-2H-chromen-2-yl]methoxy}sulfonic acidThumbC25H26O10S

                          518.53
                          518.124668211
                            {[6-(5,7-dihydroxy-4-oxo-2-phenyl-4H-chromen-8-yl)-3,4,5-trihydroxyoxan-2-yl]methoxy}sulfonic acidThumbC21H20O12S

                            496.44
                            496.067547258
                              {[6-(5,7-dihydroxy-4-oxo-2-phenyl-4H-chromen-6-yl)-3,4,5-trihydroxyoxan-2-yl]methoxy}sulfonic acidThumbC21H20O12S

                              496.44
                              496.067547258
                                {[6-(5,7-dihydroxy-4-oxo-2-phenyl-3,4-dihydro-2H-1-benzopyran-8-yl)-3,4,5-trihydroxyoxan-2-yl]methoxy}sulfonic acidThumbC21H22O12S

                                498.46
                                498.083197322
                                  {[6-(5,6-dihydroxy-7-methoxy-4-oxo-2-phenyl-4H-chromen-8-yl)-3,4,5-trihydroxyoxan-2-yl]methoxy}sulfonic acidThumbC22H22O13S

                                  526.47
                                  526.078111942
                                    {[5-hydroxy-8-methyl-6-(2-methylpropanoyl)-2-oxo-4-phenyl-2H,8H-pyrano[2,3-f]chromen-8-yl]methoxy}sulfonic acidThumbC24H22O9S

                                    486.49
                                    486.098453462
                                      {[5-({6-[(acetyloxy)methyl]-4,5-dihydroxy-2-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-3-yl}oxy)-3,4-dihydroxyoxolan-3-yl]methoxy}sulfonic acidThumbC28H30O18S

                                      686.59
                                      686.1152853
                                        {[5-({4,5-dihydroxy-2-[4-(7-hydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)phenoxy]-6-(hydroxymethyl)oxan-3-yl}oxy)-3,4-dihydroxyoxolan-3-yl]methoxy}sulfonic acidThumbC26H30O16S

                                        630.57
                                        630.12545606
                                          {[5-(4-methoxyphenyl)-3-oxopentyl]oxy}sulfonic acidThumbC12H16O6S

                                          288.31
                                          288.066759409
                                            {[5-(4-methoxyphenyl)-3-oxopentan-2-yl]oxy}sulfonic acidThumbC12H16O6S

                                            288.31
                                            288.066759409
                                              {[5-(4-methoxyphenyl)-2-methyl-3-oxopentyl]oxy}sulfonic acidThumbC13H18O6S

                                              302.34
                                              302.082409474
                                                {[5-(4-methoxyphenyl)-2-methyl-3-oxopent-4-en-1-yl]oxy}sulfonic acidThumbC13H16O6S

                                                300.33
                                                300.066759409
                                                  {[4-hydroxy-1-(7-methoxy-2-oxo-2H-chromen-8-yl)-3-methylidenebutan-2-yl]oxy}sulfonic acidThumbC15H16O8S

                                                  356.35
                                                  356.056588649
                                                    Displaying metabolites 1 - 25 of 114100 in total