Human Metabolome Database: Browsing metabolites

HMDB ID CAS Number	Name	Formula Average Mass Monoisotopic Mass	Biospecimen Location
HMDB0240205 380843-75-4	Bosutinib	C₂₆H₂₉Cl₂N₅O₃ 530.446 529.164745233
HMDB0062475	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-Xyl	C₃₇H₅₉NO₃₈S₂ 1189.97 1189.215648812
HMDB0062495	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-Xyl	C₃₇H₅₉NO₃₅S 1109.91 1109.258833778
HMDB0062476	α-D-GlcNAc3S-(1→4)-β-D-GlcA(1→3)-β-D-Gal(1→3)-β-D-Gal(1→4)-D-Xyl	C₃₁H₅₁NO₂₉S 933.79 933.2267458
HMDB0240575	Α-chaconine	C₄₅H₇₃NO₁₄ 852.0594 851.503106049	Blood Urine
HMDB0129848	{[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 acid	C₃₀H₃₂O₁₀S 584.64 584.171618404
HMDB0127436	{[8-(2,4-dihydroxyphenyl)-5-hydroxy-2-methyl-6-oxo-2H,6H-pyrano[3,2-g]chromen-2-yl]methoxy}sulfonic acid	C₂₀H₁₆O₁₀S 448.4 448.046417889
HMDB0126011	{[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 acid	C₂₁H₂₀O₁₀S 464.44 464.077718018
HMDB0125192	{[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]oxidanium	C₃₆H₃₅O₂₀ 787.655 787.171619947
HMDB0125086	{[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]oxidanium	C₃₉H₃₉O₂₀ 827.72 827.202920076
HMDB0125097	{[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]oxidanium	C₄₀H₄₁O₂₁ 857.746 857.21348476
HMDB0134839	{[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}oxidanium	C₃₁H₂₈O₁₆S 688.61 688.109805996
HMDB0130562	{[6-({2-[3,5-dihydroxy-4-(sulfooxy)phenyl]-7-hydroxy-5-oxo-5H-chromen-3-yl}oxy)-3,4,5-trihydroxyoxan-2-yl]methyl}oxidanium	C₂₁H₂₁O₁₅S 545.44 545.05956757
HMDB0132814	{[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 acid	C₂₅H₂₆O₁₀S 518.53 518.124668211
HMDB0127172	{[6-(5,7-dihydroxy-4-oxo-2-phenyl-4H-chromen-8-yl)-3,4,5-trihydroxyoxan-2-yl]methoxy}sulfonic acid	C₂₁H₂₀O₁₂S 496.44 496.067547258
HMDB0127123	{[6-(5,7-dihydroxy-4-oxo-2-phenyl-4H-chromen-6-yl)-3,4,5-trihydroxyoxan-2-yl]methoxy}sulfonic acid	C₂₁H₂₀O₁₂S 496.44 496.067547258
HMDB0124786	{[6-(5,7-dihydroxy-4-oxo-2-phenyl-3,4-dihydro-2H-1-benzopyran-8-yl)-3,4,5-trihydroxyoxan-2-yl]methoxy}sulfonic acid	C₂₁H₂₂O₁₂S 498.46 498.083197322
HMDB0127186	{[6-(5,6-dihydroxy-7-methoxy-4-oxo-2-phenyl-4H-chromen-8-yl)-3,4,5-trihydroxyoxan-2-yl]methoxy}sulfonic acid	C₂₂H₂₂O₁₃S 526.47 526.078111942
HMDB0126098	{[5-hydroxy-8-methyl-6-(2-methylpropanoyl)-2-oxo-4-phenyl-2H,8H-pyrano[2,3-f]chromen-8-yl]methoxy}sulfonic acid	C₂₄H₂₂O₉S 486.49 486.098453462
HMDB0125355	{[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 acid	C₂₈H₃₀O₁₈S 686.59 686.1152853
HMDB0124936	{[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 acid	C₂₆H₃₀O₁₆S 630.57 630.12545606
HMDB0133004	{[5-(4-methoxyphenyl)-3-oxopentyl]oxy}sulfonic acid	C₁₂H₁₆O₆S 288.31 288.066759409
HMDB0133000	{[5-(4-methoxyphenyl)-3-oxopentan-2-yl]oxy}sulfonic acid	C₁₂H₁₆O₆S 288.31 288.066759409
HMDB0132965	{[5-(4-methoxyphenyl)-2-methyl-3-oxopentyl]oxy}sulfonic acid	C₁₃H₁₈O₆S 302.34 302.082409474
HMDB0132956	{[5-(4-methoxyphenyl)-2-methyl-3-oxopent-4-en-1-yl]oxy}sulfonic acid	C₁₃H₁₆O₆S 300.33 300.066759409

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