Revert "updated script on metabolite variation"

This reverts commit 23eaa64e

runs/Met_whole/cana1_gl_pathway_results.csv

-,Total Cmpd,Hits,Raw p,#NAME?,Holm adjust,FDR,Impact
-Fructose and mannose metabolism,20,1,0.00029287,3.5333,0.016986,0.016986,0
-"Alanine, aspartate and glutamate metabolism",22,10,0.0010156,2.9933,0.05789,0.023646,0.84892
-Glutathione metabolism,26,7,0.0014774,2.8305,0.082733,0.023646,0.13362
-Cyanoamino acid metabolism,29,6,0.0016307,2.7876,0.089691,0.023646,0.35593
-Selenocompound metabolism,13,1,0.004896,2.3102,0.26438,0.056793,0
-Nitrogen metabolism,12,2,0.006858,2.1638,0.36348,0.057737,0
-Glyoxylate and dicarboxylate metabolism,29,11,0.007169,2.1445,0.37279,0.057737,0.50324
-Aminoacyl-tRNA biosynthesis,46,19,0.0079637,2.0989,0.40615,0.057737,0.11111
-Arginine biosynthesis,18,8,0.0093094,2.0311,0.46547,0.059994,0.34079
-Pyrimidine metabolism,38,3,0.010468,1.9801,0.51293,0.060714,0.05766
-Purine metabolism,63,4,0.011995,1.921,0.57578,0.063248,0.07925
-Arginine and proline metabolism,34,8,0.0155,1.8097,0.72852,0.074919,0.5247
-"Glycine, serine and threonine metabolism",33,8,0.018263,1.7384,0.84011,0.078969,0.60216
-Cysteine and methionine metabolism,46,6,0.019406,1.7121,0.87326,0.078969,0.16135
-Sulfur metabolism,15,3,0.020423,1.6899,0.89862,0.078969,0.10774
-Sphingolipid metabolism,17,1,0.026431,1.5779,1,0.090635,0
-"Valine, leucine and isoleucine biosynthesis",22,6,0.026565,1.5757,1,0.090635,0.10727
-Galactose metabolism,27,7,0.029971,1.5233,1,0.095385,0.29394
-Porphyrin and chlorophyll metabolism,48,1,0.031247,1.5052,1,0.095385,0
-Phosphatidylinositol signaling system,26,2,0.039039,1.4085,1,0.11321,0.03285
-Inositol phosphate metabolism,28,3,0.044463,1.352,1,0.1228,0.12552
-Carbon fixation in photosynthetic organisms,21,5,0.050027,1.3008,1,0.13189,0.10075
-Butanoate metabolism,17,5,0.05963,1.2245,1,0.15037,0.13636
-"Valine, leucine and isoleucine degradation",37,3,0.071051,1.1484,1,0.17171,0
-Glycerophospholipid metabolism,37,2,0.08671,1.0619,1,0.19859,0.09832
-Glycerolipid metabolism,21,4,0.089437,1.0485,1,0.19859,0.02235
-"Phenylalanine, tyrosine and tryptophan biosynthesis",22,4,0.092521,1.0338,1,0.19859,0.1016
-Pantothenate and CoA biosynthesis,23,4,0.095883,1.0183,1,0.19859,0.08423
-Nicotinate and nicotinamide metabolism,13,2,0.099296,1.0031,1,0.19859,0
-Glucosinolate biosynthesis,65,6,0.10452,0.98082,1,0.20206,0
-beta-Alanine metabolism,18,4,0.11245,0.94905,1,0.21039,0.32937
-Monobactam biosynthesis,8,2,0.12424,0.90576,1,0.22518,0
-Ascorbate and aldarate metabolism,18,5,0.1425,0.84619,1,0.2476,0.40299
-Citrate cycle (TCA cycle),20,7,0.14515,0.83819,1,0.2476,0.32413
-Pyruvate metabolism,22,4,0.16038,0.79485,1,0.24955,0.32193
-Phenylalanine metabolism,11,1,0.16098,0.79322,1,0.24955,0.47059
-"Tropane, piperidine and pyridine alkaloid biosynthesis",8,1,0.16098,0.79322,1,0.24955,0
-Lysine biosynthesis,9,3,0.16758,0.77578,1,0.24955,0
-Isoquinoline alkaloid biosynthesis,6,2,0.1678,0.77521,1,0.24955,0.5
-Propanoate metabolism,20,1,0.17295,0.76207,1,0.25078,0
-Starch and sucrose metabolism,22,7,0.33099,0.48019,1,0.46823,0.72431
-Tyrosine metabolism,16,4,0.34913,0.45701,1,0.48214,0.27703
-Lysine degradation,18,3,0.36048,0.44312,1,0.48622,0
-Biosynthesis of secondary metabolites - unclassified,5,1,0.40582,0.39166,1,0.52567,1
-Ubiquinone and other terpenoid-quinone biosynthesis,38,2,0.40785,0.3895,1,0.52567,0.00097
-Histidine metabolism,15,1,0.41804,0.37878,1,0.52709,0.04264
-Phenylpropanoid biosynthesis,46,3,0.46851,0.32928,1,0.57816,0.05295
-Amino sugar and nucleotide sugar metabolism,50,5,0.51068,0.29185,1,0.60855,0.10791
-Fatty acid biosynthesis,56,2,0.51412,0.28894,1,0.60855,0
-Glycolysis / Gluconeogenesis,26,3,0.6327,0.1988,1,0.73393,0.12036
-Pentose and glucuronate interconversions,16,3,0.657,0.18243,1,0.74718,0
-Pentose phosphate pathway,19,1,0.72613,0.13899,1,0.80062,0.11621
-Terpenoid backbone biosynthesis,30,1,0.7316,0.13573,1,0.80062,0
-Thiamine metabolism,22,2,0.7646,0.11657,1,0.82123,0
-Tryptophan metabolism,28,1,0.81944,0.086485,1,0.8487,0.12037
-Indole alkaloid biosynthesis,4,1,0.81944,0.086485,1,0.8487,0
-C5-Branched dibasic acid metabolism,6,2,0.93199,0.030589,1,0.94834,0
-Zeatin biosynthesis,21,2,0.97936,0.0090588,1,0.97936,0

runs/Met_whole/cana1_wl_pathway_results.csv

-,Total Cmpd,Hits,Raw p,#NAME?,Holm adjust,FDR,Impact
-Fructose and mannose metabolism,20,1,1.30E-08,7.8867,7.53E-07,7.53E-07,0
-Pantothenate and CoA biosynthesis,23,4,7.69E-08,7.1142,4.38E-06,1.69E-06,0.08423
-"Valine, leucine and isoleucine biosynthesis",22,6,1.18E-07,6.9289,6.60E-06,1.69E-06,0.10727
-Terpenoid backbone biosynthesis,30,1,1.63E-07,6.7886,8.95E-06,1.69E-06,0
-"Valine, leucine and isoleucine degradation",37,3,1.66E-07,6.7811,8.95E-06,1.69E-06,0
-Glucosinolate biosynthesis,65,6,1.75E-07,6.7567,9.28E-06,1.69E-06,0
-Tryptophan metabolism,28,1,2.89E-07,6.539,1.50E-05,2.10E-06,0.12037
-Indole alkaloid biosynthesis,4,1,2.89E-07,6.539,1.50E-05,2.10E-06,0
-Glutathione metabolism,26,7,5.86E-07,6.2319,2.93E-05,3.78E-06,0.13362
-Phosphatidylinositol signaling system,26,2,1.15E-06,5.9387,5.64E-05,6.68E-06,0.03285
-Inositol phosphate metabolism,28,3,2.03E-06,5.6935,9.72E-05,1.07E-05,0.12552
-Sulfur metabolism,15,3,1.08E-05,4.9681,0.00050581,5.20E-05,0.10774
-C5-Branched dibasic acid metabolism,6,2,2.11E-05,4.6765,0.00096885,9.40E-05,0
-Arginine and proline metabolism,34,8,3.60E-05,4.4434,0.0016212,0.00014926,0.5247
-Pyrimidine metabolism,38,3,4.58E-05,4.3393,0.0020144,0.00016923,0.05766
-Glyoxylate and dicarboxylate metabolism,29,11,4.67E-05,4.3308,0.0020144,0.00016923,0.50324
-Nitrogen metabolism,12,2,5.26E-05,4.2794,0.0022072,0.00017929,0
-Purine metabolism,63,4,5.74E-05,4.2409,0.0023544,0.00018504,0.07925
-Tyrosine metabolism,16,4,9.40E-05,4.027,0.0037586,0.00026937,0.27703
-Isoquinoline alkaloid biosynthesis,6,2,9.56E-05,4.0196,0.0037586,0.00026937,0.5
-Ubiquinone and other terpenoid-quinone biosynthesis,38,2,9.75E-05,4.0109,0.0037586,0.00026937,0.00097
-"Phenylalanine, tyrosine and tryptophan biosynthesis",22,4,0.0001319,3.8798,0.0048803,0.00034773,0.1016
-Starch and sucrose metabolism,22,7,0.00033327,3.4772,0.011998,0.00084042,0.72431
-Glycolysis / Gluconeogenesis,26,3,0.00047536,3.323,0.016638,0.0011052,0.12036
-Citrate cycle (TCA cycle),20,7,0.00047637,3.3221,0.016638,0.0011052,0.32413
-Phenylpropanoid biosynthesis,46,3,0.00088182,3.0546,0.0291,0.0018302,0.05295
-Phenylalanine metabolism,11,1,0.00088356,3.0538,0.0291,0.0018302,0.47059
-"Tropane, piperidine and pyridine alkaloid biosynthesis",8,1,0.00088356,3.0538,0.0291,0.0018302,0
-Glycerolipid metabolism,21,4,0.0018387,2.7355,0.05516,0.0036773,0.02235
-Sphingolipid metabolism,17,1,0.0019075,2.7195,0.055316,0.0036878,0
-Propanoate metabolism,20,1,0.0029375,2.532,0.082249,0.0054959,0
-Arginine biosynthesis,18,8,0.003661,2.4364,0.098847,0.0066355,0.34079
-Aminoacyl-tRNA biosynthesis,46,19,0.0047869,2.3199,0.12446,0.0084134,0.11111
-Galactose metabolism,27,7,0.0091016,2.0409,0.22754,0.015526,0.29394
-Butanoate metabolism,17,5,0.0098481,2.0066,0.23635,0.01632,0.13636
-Porphyrin and chlorophyll metabolism,48,1,0.011279,1.9477,0.25942,0.018172,0
-"Alanine, aspartate and glutamate metabolism",22,10,0.017776,1.7502,0.39107,0.027865,0.84892
-Cyanoamino acid metabolism,29,6,0.023478,1.6293,0.49304,0.035835,0.35593
-Lysine degradation,18,3,0.026983,1.5689,0.53967,0.039744,0
-Histidine metabolism,15,1,0.02741,1.5621,0.53967,0.039744,0.04264
-Pentose phosphate pathway,19,1,0.032153,1.4928,0.57875,0.045484,0.11621
-Thiamine metabolism,22,2,0.047944,1.3193,0.81504,0.066208,0
-Selenocompound metabolism,13,1,0.05842,1.2334,0.93472,0.078799,0
-Glycerophospholipid metabolism,37,2,0.06874,1.1628,1,0.090203,0.09832
-Lysine biosynthesis,9,3,0.069985,1.155,1,0.090203,0
-Pyruvate metabolism,22,4,0.078343,1.106,1,0.09878,0.32193
-Amino sugar and nucleotide sugar metabolism,50,5,0.080745,1.0929,1,0.099642,0.10791
-Ascorbate and aldarate metabolism,18,5,0.088924,1.051,1,0.10745,0.40299
-Pentose and glucuronate interconversions,16,3,0.12346,0.90847,1,0.14614,0
-Carbon fixation in photosynthetic organisms,21,5,0.16395,0.7853,1,0.19018,0.10075
-Cysteine and methionine metabolism,46,6,0.21104,0.67563,1,0.23597,0.16135
-beta-Alanine metabolism,18,4,0.21156,0.67456,1,0.23597,0.32937
-"Glycine, serine and threonine metabolism",33,8,0.22696,0.64406,1,0.24837,0.60216
-Nicotinate and nicotinamide metabolism,13,2,0.25348,0.59605,1,0.26781,0
-Monobactam biosynthesis,8,2,0.25396,0.59524,1,0.26781,0
-Biosynthesis of secondary metabolites - unclassified,5,1,0.44773,0.34898,1,0.46372,1
-Fatty acid biosynthesis,56,2,0.50236,0.29899,1,0.51117,0
-Zeatin biosynthesis,21,2,0.81428,0.089227,1,0.81428,0

runs/Met_whole/name_map.csv

-"Query","Match","HMDB","PubChem","KEGG","SMILES","Comment"
-"group","NA","NA","NA","NA","NA","0"
-"C00147","Adenine","HMDB0000034","190","C00147","NC1=C2NC=NC2=NC=N1","1"
-"C00020","Adenosine monophosphate","HMDB0000045","6083","C00020","NC1=C2N=CN([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)C2=NC=N1","1"
-"C00956","Aminoadipic acid","HMDB0000510","92136","C00956","N[C@@H](CCCC(O)=O)C(O)=O","1"
-"C06104","Adipic acid","HMDB0000448","196","C06104","OC(=O)CCCCC(O)=O","1"
-"C00041","L-Alanine","HMDB0000161","5950","C00041","C[C@H](N)C(O)=O","1"
-"C02512","3-Cyano-L-alanine","METPA0300",NA,"C02512",NA,"1"
-"C00099","beta-Alanine","HMDB0000056","239","C00099","NCCC(O)=O","1"
-"C00062","L-Arginine","HMDB0000517","6322","C00062","N[C@@H](CCCNC(N)=N)C(O)=O","1"
-"C00072","Ascorbic acid","HMDB0000044","54670067","C00072","[H][C@@]1(OC(=O)C(O)=C1O)[C@@H](O)CO","1"
-"C00152","L-Asparagine","HMDB0000168","6267","C00152","N[C@@H](CC(N)=O)C(O)=O","1"
-"C00049","L-Aspartic acid","HMDB0000191","5960","C00049","N[C@@H](CC(O)=O)C(O)=O","1"
-"C00156","4-Hydroxybenzoic acid","HMDB0000500","135","C00156","OC(=O)C1=CC=C(O)C=C1","1"
-"C00180","Benzoic acid","HMDB0001870","243","C00180","OC(=O)C1=CC=CC=C1","1"
-"C00556","Benzyl alcohol","HMDB0003119","244","C00556","OCC1=CC=CC=C1","1"
-"C00334","gamma-Aminobutyric acid","HMDB0000112","119","C00334","NCCCC(O)=O","1"
-"C10850","NA","NA","NA","NA","NA","0"
-"C10851","Calystegine B2","HMDB0038594","3693124","C10851","OC1C2CCC(O)(N2)C(O)C1O","1"
-"C00811","4-Hydroxycinnamic acid","HMDB0002035","637542","C00811","OC(=O)\C=C\C1=CC=C(O)C=C1","1"
-"C00158","Citric acid","HMDB0000094","311","C00158","OC(=O)CC(O)(CC(O)=O)C(O)=O","1"
-"C01571","Capric acid","HMDB0000511","2969","C01571","CCCCCCCCCC(O)=O","1"
-"C00503","Erythritol","HMDB0002994","222285","C00503","OC[C@H](O)[C@H](O)CO","1"
-"C21593","NA","NA","NA","NA","NA","0"
-"C00189","Ethanolamine","HMDB0000149","700","C00189","NCCO","1"
-"C00085","Fructose 6-phosphate","HMDB0000124","69507","C00085","OCC(=O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O","1"
-"C00095","D-Fructose","HMDB0000660","439709","C00095","OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O","1"
-"C01019","L-Fucose","HMDB0000174","17106","C01019","C[C@@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1O","1"
-"C00122","Fumaric acid","HMDB0000134","444972","C00122","OC(=O)\C=C\C(O)=O","1"
-"C01235","beta-Cortol","HMDB0005821","439451","C01235","[H][C@@]12CC[C@](O)([C@H](O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](O)CC[C@]12C","1"
-"C01115","NA","NA","NA","NA","NA","0"
-"C00333","Galacturonic acid","HMDB0002545","84740","C00333","O[C@@H](C=O)[C@@H](O)[C@@H](O)[C@H](O)C(O)=O","1"
-"C00345","6-Phosphogluconic acid","HMDB0001316","91493","C00345","O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O","1"
-"C00103","Glucose 1-phosphate","HMDB0001586","65533","C00103","OC[C@H]1O[C@H](OP(O)(O)=O)[C@H](O)[C@@H](O)[C@@H]1O","1"
-"C00092","Glucose 6-phosphate","HMDB0001401","5958","C00092","OC1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@H]1O","1"
-"C22350","NA","NA","NA","NA","NA","0"
-"C00031","D-Glucose","HMDB0000122","5793","C00031","OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O","1"
-"C00025","Glutamic acid","HMDB0000148","33032","C00025","N[C@@H](CCC(O)=O)C(O)=O","1"
-"C00064","Glutamine","HMDB0000641","5961","C00064","N[C@@H](CCC(N)=O)C(O)=O","1"
-"C00026","Oxoglutaric acid","HMDB0000208","51","C00026","OC(=O)CCC(=O)C(O)=O","1"
-"C00489","Glutaric acid","HMDB0000661","743","C00489","OC(=O)CCCC(O)=O","1"
-"C00258","Glyceric acid","HMDB0000139","439194","C00258","OC[C@@H](O)C(O)=O","1"
-"C00093","Glycerol 3-phosphate","HMDB0000126","439162","C00093","OC[C@@H](O)COP(O)(O)=O","1"
-"C00116","Glycerol","HMDB0000131","753","C00116","OCC(O)CO","1"
-"C00037","Glycine","HMDB0000123","750","C00037","NCC(O)=O","1"
-"C00160","Glycolate",NA,"3460","C00160",NA,"1"
-"C17349","Guanidine","HMDB0001842","3520","C17349","NC(N)=N","1"
-"C01040","L-Gulonolactone","HMDB0003466","439373","C01040","[H][C@@]1(OC(=O)[C@@H](O)[C@H]1O)[C@@H](O)CO","1"
-"C00135","Histidine","HMDB0000177","6274","C00135","N[C@@H](CC1=CN=CN1)C(O)=O","1"
-"C00263","L-Homoserine","HMDB0000719","12647","C00263","N[C@@H](CCO)C(O)=O","1"
-"C04006","myo-Inositol 1-phosphate","HMDB0000213",NA,"C04006","O[C@H]1[C@H](O)[C@@H](O)[C@H](OP(O)(O)=O)[C@H](O)[C@@H]1O","1"
-"C00137","myo-Inositol","HMDB0000211",NA,"C00137","O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@@H]1O","1"
-"C00311","Isocitric acid","HMDB0000193","1198","C00311","OC(C(CC(O)=O)C(O)=O)C(O)=O","1"
-"C00407","Isoleucine","HMDB0000172","6306","C00407","CC[C@H](C)[C@H](N)C(O)=O","1"
-"C00490","Itaconic acid","HMDB0002092","811","C00490","OC(=O)CC(=C)C(O)=O","1"
-"C00186","Lactic acid","HMDB0000190","107689","C00186","C[C@H](O)C(O)=O","1"
-"C00123","Leucine","HMDB0000687","6106","C00123","CC(C)C[C@H](N)C(O)=O","1"
-"C00047","Lysine","HMDB0000182","5962","C00047","NCCCC[C@H](N)C(O)=O","1"
-"C00476","Isocarboxazid","HMDB0015377","3759","C00476","CC1=CC(=NO1)C(=O)NNCC1=CC=CC=C1","1"
-"C02612","(R)-2-Methylmalate","METPA0308",NA,"C02612",NA,"1"
-"C00149","Malic acid","HMDB0000156","222656","C00149","O[C@@H](CC(O)=O)C(O)=O","1"
-"C00185","Cellobiose","HMDB0000055","10712","C00185","OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O","1"
-"C00208","D-Maltose","HMDB0000163","10991489","C00208","OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O","1"
-"C00073","Methionine","HMDB0000696","6137","C00073","CSCC[C@H](N)C(O)=O","1"
-"C00253","Nicotinic acid","HMDB0001488","938","C00253","OC(=O)C1=CN=CC=C1","1"
-"C01020","6-Hydroxynicotinic acid","HMDB0002658","72924","C01020","OC(=O)C1=CN=C(O)C=C1","1"
-"C01601","Pelargonic acid","HMDB0000847","8158","C01601","CCCCCCCCC(O)=O","1"
-"C00077","Ornithine","HMDB0000214","6262","C00077","NCCC[C@H](N)C(O)=O","1"
-"C01742","NA","NA","NA","NA","NA","0"
-"C00079","Phenylalanine","HMDB0000159","6140","C00079","N[C@@H](CC1=CC=CC=C1)C(O)=O","1"
-"C00009","Phosphate","HMDB0001429","1004","C00009","OP(O)(O)=O","1"
-"C00408","Pipecolic acid","HMDB0000070","849","C00408","OC(=O)C1CCCCN1","1"
-"C00148","Proline","HMDB0000162","145742","C00148","OC(=O)[C@@H]1CCCN1","1"
-"C01157","4-Hydroxyproline","HMDB0000725","5810","C01157","O[C@H]1CN[C@@H](C1)C(O)=O","1"
-"C06468","NA","NA","NA","NA","NA","0"
-"C00134","Putrescine","HMDB0001414","1045","C00134","NCCCCN","1"
-"C02502","2-Hydroxypyridine","HMDB0013751","8871","C02502","OC1=CC=CC=N1","1"
-"C01879","Pyroglutamic acid","HMDB0000267","7405","C01879","OC(=O)[C@@H]1CCC(=O)N1","1"
-"C00022","Pyruvic acid","HMDB0000243","1060","C00022","CC(=O)C(O)=O","1"
-"C00296","Quinic acid","HMDB0003072","6508","C00296","O[C@@H]1C[C@@](O)(C[C@@H](O)[C@H]1O)C(O)=O","1"
-"C00492","Raffinose","HMDB0003213","439242","C00492","OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O","1"
-"C00507","Rhamnose","HMDB0000849","25310","C00507","C[C@@H]1OC(O)[C@H](O)[C@H](O)[C@H]1O","1"
-"C00979","O-Acetylserine","HMDB0003011","99478","C00979","CC(=O)OC[C@H](N)C(O)=O","1"
-"C00065","Serine","HMDB0000187","5951","C00065","N[C@@H](CO)C(O)=O","1"
-"C00493","Shikimic acid","HMDB0003070","8742","C00493","O[C@@H]1CC(=C[C@@H](O)[C@H]1O)C(O)=O","1"
-"C00315","Spermidine","HMDB0001257","1102","C00315","NCCCCNCCCN","1"
-"C00042","Succinic acid","HMDB0000254","1110","C00042","OC(=O)CCC(O)=O","1"
-"C00089","Sucrose","HMDB0000258","5988","C00089","OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O","1"
-"C06424","Myristic acid","HMDB0000806","11005","C06424","CCCCCCCCCCCCCC(O)=O","1"
-"C01620","Threonic acid","HMDB0000943","5460407","C01620","OC[C@H](O)[C@@H](O)C(O)=O","1"
-"C00188","L-Threonine","HMDB0000167","6288","C00188","C[C@@H](O)[C@H](N)C(O)=O","1"
-"C01083","Trehalose","HMDB0000975","7427","C01083","OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O","1"
-"C00078","L-Tryptophan","HMDB0000929","6305","C00078","N[C@@H](CC1=CNC2=C1C=CC=C2)C(O)=O","1"
-"C00483","Tyramine","HMDB0000306","5610","C00483","NCCC1=CC=C(O)C=C1","1"
-"C00082","L-Tyrosine","HMDB0000158","6057","C00082","N[C@@H](CC1=CC=C(O)C=C1)C(O)=O","1"
-"C05422","Dehydroascorbic acid","HMDB0001264","440667","C05422","[H][C@@]1(OC(=O)C(=O)C1=O)[C@@H](O)CO","1"
-"C00482","Sinapic acid","HMDB0032616","637775","C00482","COC1=CC(\C=C\C(O)=O)=CC(OC)=C1O","1"
-"C00106","Uracil","HMDB0000300","1174","C00106","O=C1NC=CC(=O)N1","1"
-"C00086","Urea","HMDB0000294","1176","C00086","NC(N)=O","1"
-"C00183","L-Valine","HMDB0000883","6287","C00183","CC(C)[C@H](N)C(O)=O","1"
-"C00181","D-Xylose","HMDB0000098","135191","C00181","O[C@@H]1COC(O)[C@H](O)[C@H]1O","1"