Table 3. List  of metabolites detected as known metabolites with aid of METLIN tandem database (Scripps Center for Metabolomics) ,,,,,,
" Note: 1 indicates exact match, 2 indicates approximate match, and 0 indicates no match. ",,,,,,
,,,,,,
Query,Match,HMDB,PubChem,KEGG,SMILES,Comment
Alanine,L-Alanine,HMDB0000161,5950,C00041,C[C@@H](C(=O)O)N,1
Glycine,Glycine,HMDB0000123,750,C00037,C(C(=O)O)N,1
Serine,L-Serine,HMDB0000187,5951,C00065,C([C@@H](C(=O)O)N)O,1
Asparagine,L-Asparagine,HMDB0000168,6267,C00152,C([C@@H](C(=O)O)N)C(=O)N,1
Aspartic acid,L-Aspartic acid,HMDB0000191,5960,C00049,C([C@@H](C(=O)O)N)C(=O)O,1
Proline,L-Proline,HMDB0000162,145742,C00148,C1C[C@H](NC1)C(=O)O,1
Valine,L-Valine,HMDB0000883,6287,C00183,CC(C)[C@@H](C(=O)O)N,1
Glutamine,L-Glutamine,HMDB0000641,5961,C00064,C(CC(=O)N)[C@@H](C(=O)O)N,1
Leucine,L-Leucine,HMDB0000687,6106,C00123,CC(C)C[C@@H](C(=O)O)N,1
Norvaline,Norvaline,HMDB0013716,439575,C01799,CCC[C@H](C(=O)O)N,1
Threonine,L-Threonine,HMDB0000167,6288,C00188,C[C@H]([C@@H](C(=O)O)N)O,1
Lysine,L-Lysine,HMDB0000182,5962,C00047,C(CCN)C[C@@H](C(=O)O)N,1
Tyrosine,L-Tyrosine,HMDB0000158,6057,C00082,C1=CC(=CC=C1C[C@@H](C(=O)O)N)O,1
Methionine,L-Methionine,HMDB0000696,6137,C00073,CSCC[C@@H](C(=O)O)N,1
Tryptophan,L-Tryptophan,HMDB0000929,6305,C00078,C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)N,1
Isoeucine,NA,NA,NA,NA,NA,0
g-aminobutyric acid,Gamma-Aminobutyric acid,HMDB0000112,223130,C00334,C(CC(=O)O)CN,1
Phenylalinine,NA,NA,NA,NA,NA,0
Xylitol,D-Xylitol,HMDB0002917,6912,C00379,C([C@H](C([C@H](CO)O)O)O)O,1
Ribitol,Ribitol,HMDB0000508,NA,C00474,OC[C@H](O)[C@H](O)[C@H](O)CO,1
Erythritol,Erythritol,HMDB0002994,222285,C16884,C([C@H]([C@H](CO)O)O)O,1
Galactinol,Galactinol,HMDB0005826,439451,C01235,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC2[C@@H]([C@H](C([C@H]([C@H]2O)O)O)O)O)O)O)O)O,1
Sorbitol,Sorbitol,HMDB0000247,5780,C00794,C([C@H]([C@H]([C@@H]([C@H](CO)O)O)O)O)O,1
Mannitol,Mannitol,HMDB0000765,6251,C00392,C([C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O,1
Glucose,D-Glucose,HMDB0000122,5793,C00031,C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)O)O)O)O,1
Mannose,D-Mannose,HMDB0000169,18950,C00159,C([C@@H]1[C@H]([C@@H]([C@@H](C(O1)O)O)O)O)O,1
Fructose,D-Fructose,HMDB0000660,439709,C02336,C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O,1
Galactose,D-Galactose,HMDB0000143,439357,C00984,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O,1
Galactofuranose,NA,NA,NA,NA,NA,0
Mannopyranose,D-Mannose,HMDB0000169,18950,C00159,C([C@@H]1[C@H]([C@@H]([C@@H](C(O1)O)O)O)O)O,1
Ribose,D-Ribose,HMDB0000283,5779,C00121,C([C@@H]1[C@H]([C@H](C(O1)O)O)O)O,1
Trehalose,Trehalose,HMDB0000975,7427,C01083,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)O,1
Galactopyranoside,L-Galactose,HMDB0033704,6036,C00984,C([C@H]1[C@H]([C@H]([C@@H](C(O1)O)O)O)O)O,1
Turanose,Turanose,HMDB0011740,5460935,C19636,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]([C@@H]([C@@H](CO)O)O)C(=O)CO)O)O)O)O,1
Melibiose,Melibiose,HMDB0000048,440658,C05400 ,C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H](C(O2)O)O)O)O)O)O)O)O,1
Sucrose,Sucrose,HMDB0000258,5988,C00089,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)O)O)O)O,1
Galactoside,NA,NA,NA,NA,NA,0
"Thero-2,5-Hexodiulose",NA,NA,NA,NA,NA,0
Inose,NA,NA,NA,NA,NA,0
Ketocose,NA,NA,NA,NA,NA,0
Maltose,D-Maltose,HMDB0000163,10991489,C00208,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@H]([C@H]2O)O)O)CO)O)O)O)O,1
Fucose,L-Fucose,HMDB0000174,25310,C00507,C[C@H]1[C@H]([C@H]([C@@H](C(O1)O)O)O)O,1
Altrose,NA,NA,NA,NA,NA,0
Lactose,Alpha-Lactose,HMDB0000186,84571,C00243,C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O,1
Raffinose,Raffinose,HMDB0003213,10542,C00492,C([C@@H]1[C@@H]([C@@H]([C@H](C(O1)OC[C@@H]2[C@H]([C@@H]([C@H](C(O2)O[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO)O)O)O)O)O)O)O,1
Ketoglutaric acid,NA,NA,NA,NA,NA,0
Malonic acid,Malonic acid,HMDB0000691,867,C04025,C(C(=O)O)C(=O)O,1
Gulonic acid,Gulonic acid,HMDB0003290,152304,C00800,C([C@H]([C@@H]([C@H]([C@H](C(=O)O)O)O)O)O)O,1
Ribonic acid,Ribonic acid,HMDB0000867,5460677,C01685,C([C@H]([C@H]([C@H](C(=O)O)O)O)O)O,1
Azelaic acid,Azelaic acid,HMDB0000784,2266,C08261,C(CCCC(=O)O)CCCC(=O)O,1
Oxalic acid,Oxalic acid,HMDB0002329,971,C00209,C(=O)(C(=O)O)O,1
Propanic acid,NA,NA,NA,NA,NA,0
Butanoic acid,Butyric acid,HMDB0000039,264,C00246,CCCC(=O)O,1
Ethanedioic acid,Oxalic acid,HMDB0002329,971,C00209,C(=O)(C(=O)O)O,1
Butanedioic acid,Succinic acid,HMDB0000254,1110,C00042,C(CC(=O)O)C(=O)O,1
Maleic acid,Maleic acid,HMDB0000176,444972,C00122,C(=C\C(=O)O)\C(=O)O,1
Pentanoic acid,Valeric acid,HMDB0000892,7991,C00803,CCCCC(=O)O,1
Benzoic acid,Benzoic acid,HMDB0001870,243,C00539,C1=CC=C(C=C1)C(=O)O,1
Indole-3-acetic acid,Indoleacetic acid,HMDB0000197,802,C00954,C1=CC=C2C(=C1)C(=CN2)CC(=O)O,1
D-glucuronic acid,D-Glucuronic acid,HMDB0000127,94715,C00191,[C@@H]1([C@@H]([C@H](O[C@@H]([C@@H]1O)O)C(=O)O)O)O,1
Tricarboxylic acid,NA,NA,NA,NA,NA,0
Trihydroxy butyric acid,NA,NA,NA,NA,NA,0
2-hydroxy sebacic acid,NA,NA,NA,NA,NA,0
Cinnamic acid,Cinnamic acid,HMDB0000567,5372954,C10438,C1=CC=C(C=C1)/C=C\C(=O)O,1
Quinolinic acid,Quinolinic acid,HMDB0000232,1066,C03722,C1=CC(=C(N=C1)C(=O)O)C(=O)O,1
Glurcaric acid,NA,NA,NA,NA,NA,0
Succinate,Succinic acid,HMDB0000254,1110,C00042,C(CC(=O)O)C(=O)O,1
Alloxanic acid,NA,NA,NA,NA,NA,0
Mannoic acid,NA,NA,NA,NA,NA,0
Linolenic acid,Alpha-Linolenic acid,HMDB0001388,5280934,C06427,CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O,1
Parabanic acid,NA,NA,NA,NA,NA,0
Isocitric acid,Isocitric acid,HMDB0000193,1198,C00311,C(C(C(C(=O)O)O)C(=O)O)C(=O)O,1
Urea,Urea,HMDB0000294,2447,C00086,C(=O)(N)N,1
Cadaverine,Cadaverine,HMDB0002322,273,C01672,C(CCN)CCN,1
Creatnine,NA,NA,NA,NA,NA,0
Citrulline,Citrulline,HMDB0000904,9750,C00327,C(C[C@@H](C(=O)O)N)CNC(=O)N,1
L-Ornithine,Ornithine,HMDB0000214,6262,C00077,C(C[C@@H](C(=O)O)N)CN,1
Glucose -PO4,NA,NA,NA,NA,NA,0
Fructose-PO4,NA,NA,NA,NA,NA,0
Phosphoric acid,Phosphoric acid,HMDB0002142,57424078,C00009,OP(=O)(O)O,1
Inositol-PO4,NA,NA,NA,NA,NA,0
Glycerol-3-PO4,NA,NA,NA,NA,NA,0
Uridine,Uridine,HMDB0000296,6029,C00299,C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O,1
Adenosine,Adenosine,HMDB0000050,60961,C00212,C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O,1
