0 B8R0.2 CCC(=O)C(C)C(O)=O HMDB0000408 [0,0,0,0,0,0|2,0,1]=3 1 B8R0.2 CCC(C)C(=O)C(O)=O HMDB0000491 [0,0,0,0,0,0|1,0,1]=2 2 B8R0.2 CCC(C)C(C)C(C)C HMDB0030302 [0,0,0,0,0,0|3,0,1]=4 3 B8R0.2 CCC(O)C(O)C(O)=O HMDB0000421 [0,0,0,0,0,0|2,0,0]=2 4 B8R0.2 CC[C@@H](C)[C@@H](O)C(O)=O HMDB0000317 [0,0,0,0,0,0|1,0,0]=1 5 B8R0.2 CC[C@@H](C)[C@H](N)C(O)=O HMDB0000557 [0,0,0,0,0,0|0,0,0]=0 6 B8R0.2 NC(C(O)CO)C(O)=O HMDB0029389 [0,0,0,0,0,0|2,0,0]=2 7 B8R0.2 OC[C@@H](O)[C@@H](O)C(O)=O HMDB0000613 [0,0,0,0,0,0|3,0,0]=3 8 B8R0.2 OC[C@@H](O)[C@H](O)C(O)=O HMDB0000943 [0,0,0,0,0,0|3,0,0]=3 9 B7R0.2 CC(CO)CC(O)=O HMDB0002011 [1,0,0,0,0,0|1,0,0]=2 10 B7R0.2 CCC(C)CC(O)=O HMDB0033774 [1,0,0,0,0,0|0,0,0]=1 11 B7R0.2 CCC(O)CC(O)=O HMDB0000531 [1,0,0,0,0,0|1,0,0]=2 12 B7R0.2 CSC(C)CC(C)=O HMDB0032430 [1,0,0,0,0,0|2,0,0]=3 13 B7R0.2 OCC(O)CC(O)=O HMDB0000337 [1,0,0,0,0,0|2,0,0]=3 14 B7R0.5 C/C=C\C(C)C(O)=O HMDB0031562 [1,0,0,0,0,0|1,0,2]=4 15 B7R0.5 CC(CC=C)C(O)=O HMDB0031158 [1,0,0,0,0,0|1,0,2]=4 16 B7R0.5 CC/C=C(/C)C(O)=O HMDB0031560 [1,0,0,0,0,0|1,0,2]=4 17 B7R0.5 CCCC(=O)C(C)=O HMDB0031491 [1,0,0,0,0,0|2,0,1]=4 18 B7R0.5 CCCC(=O)C(O)=O HMDB0001865 [1,0,0,0,0,0|1,0,1]=3 19 B7R0.5 CCCC(C)C(O)=O HMDB0031580 [1,0,0,0,0,0|1,0,0]=2 20 B7R0.5 CCCC(O)C(O)=O HMDB0001863 [1,0,0,0,0,0|1,0,0]=2 21 B7R0.5 CCC[C@@H](N)C(O)=O HMDB0013716 [1,0,0,0,0,0|0,0,0]=1 22 B7R0.5 C[Se]CC(N)C(O)=O HMDB0031466 [1,0,0,0,0,0|1,0,0]=2 23 B7R0.5 C[Se]C[C@H](N)C(O)=O HMDB0004113 [1,0,0,0,0,0|1,0,0]=2 24 B7R0.5 NC(CCS)C(O)=O HMDB0000742 [1,0,0,0,0,0|1,0,0]=2 25 B7R0.5 NC(CC[SeH])C(O)=O HMDB0004119 [1,0,0,0,0,0|1,0,0]=2 26 B7R0.5 NCCC(=C)C(O)=O HMDB0030409 [1,0,0,0,0,0|2,0,1]=4 27 B7R0.5 NCC[C@H](N)C(O)=O HMDB0006284 [1,0,0,0,0,0|1,0,0]=2 28 B7R0.5 N[C@@H](CC=O)C(O)=O HMDB0012249 [1,0,0,0,0,0|1,0,1]=3 29 B7R0.5 N[C@@H](CCO)C(O)=O HMDB0000719 [1,0,0,0,0,0|1,0,0]=2 30 B7R0.5 N[C@H](CSS)C(O)=O HMDB0003585 [1,0,0,0,0,0|2,0,0]=3 31 B7R0.5 OCCC(=O)C(O)=O HMDB0031204 [1,0,0,0,0,0|2,0,1]=4 32 B7R0.5 OCCC(O)C(O)=O HMDB0000360 [1,0,0,0,0,0|2,0,0]=3 33 B7R0.16 CC(=O)[C@H](N)C(O)=O HMDB0006454 [1,0,0,0,0,0|1,0,1]=3 34 B7R0.16 CC(C(C)=O)C(O)=O HMDB0003771 [1,0,0,0,0,0|2,0,1]=4 35 B7R0.16 CC(C)C(=O)C(C)=O HMDB0031559 [1,0,0,0,0,0|2,0,1]=4 36 B7R0.16 CC(C)C(=O)C(O)=O HMDB0000019 [1,0,0,0,0,0|1,0,1]=3 37 B7R0.16 CC(C)C(O)C(O)=O HMDB0000407 [1,0,0,0,0,0|1,0,0]=2 38 B7R0.16 CC(O)C(C)C(O)=O HMDB0000354 [1,0,0,0,0,0|2,0,0]=3 39 B7R0.16 C[C@@H](O)[C@@H](C)C(O)=O HMDB0000410 [1,0,0,0,0,0|2,0,0]=3 40 B7R0.16 C[C@@H](O)[C@@H](O)C(O)=O HMDB0000498 [1,0,0,0,0,0|2,0,0]=3 41 B7R0.16 C[C@@H](O)[C@H](C)C(O)=O HMDB0000351 [1,0,0,0,0,0|2,0,0]=3 42 B7R0.16 C[C@@H](O)[C@H](C)C(O)=O HMDB0000642 [1,0,0,0,0,0|2,0,0]=3 43 B7R0.16 C[C@@H](O)[C@H](O)C(O)=O HMDB0002453 [1,0,0,0,0,0|2,0,0]=3 44 B7R0.16 C[C@H](O)[C@H](N)C(O)=O HMDB0004041 [1,0,0,0,0,0|1,0,0]=2 45 B7R0.16 NC(C(O)=O)C(O)=O HMDB0001147 [1,0,0,0,0,0|2,0,1]=4 46 B9R0.6 CCCC(=C)C(N)C(O)=O HMDB0030410 [0,1,0,0,0,0|0,0,2]=3 47 B9R0.27 CCC(C)C(=O)C(=O)OC HMDB0037114 [0,1,0,0,0,0|1,0,1]=3 48 B9R0.27 OC[C@@H](O)[C@@H](O)C(=O)CO HMDB0000621 [0,1,0,0,0,0|3,0,0]=4 49 B9R0.27 OC[C@H](O)[C@@H](O)C(=O)CO HMDB0000751 [0,1,0,0,0,0|3,0,0]=4 50 B9R0.27 OC[C@H](O)[C@@H](O)C(=O)CO HMDB0001644 [0,1,0,0,0,0|3,0,0]=4 51 B9R0.32 CC[C@@](C)(O)[C@@H](O)C(O)=O HMDB0012140 [0,1,0,0,0,0|1,0,0]=2 52 B9R0.79 CC(O)C(C)C(N)C(O)=O HMDB0029449 [0,1,0,0,0,0|0,0,0]=1 53 B9R1.37 CC1CC(=O)C(=O)C1C HMDB0037026 [0,0,0,1,0,0|2,0,1]=4 54 B9R1.37 CC1OC(=O)C(O)=C1C HMDB0031306 [0,0,0,1,0,0|1,0,2]=4 55 B9R1.41 NC1CCNC1C(O)=O HMDB0029396 [0,0,0,1,0,0|1,0,0]=2 56 B9R1.41 NN1CCCC1C(O)=O HMDB0030405 [0,0,0,1,0,0|3,0,0]=4 57 B9R1.41 O[C@H]1CCN[C@H]1C(O)=O HMDB0002113 [0,0,0,1,0,0|1,0,0]=2 58 B9R1.132 CCC1CCC(=O)C1=O HMDB0031222 [0,0,0,1,0,0|2,0,1]=4 59 B9R0.23 OC[C@@H](O)[C@@H](O)CC(O)=O HMDB0000366 [0,0,0,0,0,1|3,0,0]=4 60 B9R0.42 N[C@@H](C[C@@H](O)C=O)C(O)=O HMDB0006556 [0,0,0,0,0,1|2,0,1]=4 61 B6R0.1 CCCC(C)C=O HMDB0031578 [2,0,0,0,0,0|1,0,0]=3 62 B6R0.1 CCCC(O)C=C HMDB0031503 [2,0,0,0,0,0|2,0,0]=4 63 B6R0.2 CC(=O)CC(O)=O HMDB0000060 [2,0,0,0,0,0|1,0,1]=4 64 B6R0.2 CC(C)=CC(O)=O HMDB0000509 [2,0,0,0,0,0|0,0,2]=4 65 B6R0.2 CC(C)CC(C)=O HMDB0002939 [2,0,0,0,0,0|1,0,0]=3 66 B6R0.2 CC(C)CC(O)=O HMDB0000718 [2,0,0,0,0,0|0,0,0]=2 67 B6R0.2 CC(C)OC(C)=O HMDB0031241 [2,0,0,0,0,0|2,0,0]=4 68 B6R0.2 CC(N)CC(O)=O HMDB0031654 [2,0,0,0,0,0|1,0,0]=3 69 B6R0.2 CC(O)CC(O)=O HMDB0000357 [2,0,0,0,0,0|1,0,0]=3 70 B6R0.2 CC(S)CC(C)=O HMDB0032376 [2,0,0,0,0,0|2,0,0]=4 71 B6R0.2 CN(C)CC(O)=O HMDB0000092 [2,0,0,0,0,0|1,0,0]=3 72 B6R0.2 C[C@@H](O)CC(O)=O HMDB0000011 [2,0,0,0,0,0|1,0,0]=3 73 B6R0.2 C[C@H](O)CC(O)=O HMDB0000442 [2,0,0,0,0,0|1,0,0]=3 74 B6R0.4 CC/C=C/C(O)=O HMDB0032459 [2,0,0,0,0,0|0,0,2]=4 75 B6R0.4 CCCCC(C)=O HMDB0005842 [2,0,0,0,0,0|1,0,0]=3 76 B6R0.4 CCCCC(O)=O HMDB0000892 [2,0,0,0,0,0|0,0,0]=2 77 B6R0.4 CCNCC(O)=O HMDB0041945 [2,0,0,0,0,0|1,0,0]=3 78 B6R0.4 CCOCC(O)=O HMDB0031212 [2,0,0,0,0,0|1,0,0]=3 79 B6R0.4 CSCCC(C)=O HMDB0031316 [2,0,0,0,0,0|2,0,0]=4 80 B6R0.4 CSCCC(O)=O HMDB0001527 [2,0,0,0,0,0|1,0,0]=3 81 B6R0.4 NCCCC(O)=O HMDB0000112 [2,0,0,0,0,0|1,0,0]=3 82 B6R0.4 OC(=O)CCC=C HMDB0031602 [2,0,0,0,0,0|0,0,2]=4 83 B6R0.4 OC(=O)CCC=O HMDB0001259 [2,0,0,0,0,0|1,0,1]=4 84 B6R0.4 OCCCC(O)=O HMDB0000710 [2,0,0,0,0,0|1,0,0]=3 85 B6R0.3 CC(CN)C(O)=O HMDB0003911 [2,0,0,0,0,0|2,0,0]=4 86 B6R0.3 CCC(=C)C(O)=O HMDB0001862 [2,0,0,0,0,0|1,0,1]=4 87 B6R0.3 CCC(=O)C(O)=O HMDB0000005 [2,0,0,0,0,0|1,0,1]=4 88 B6R0.3 CCC(C)C(O)=O HMDB0002176 [2,0,0,0,0,0|1,0,0]=3 89 B6R0.3 CCC(C)C(O)S HMDB0032373 [2,0,0,0,0,0|1,0,0]=3 90 B6R0.3 CCC(O)C(O)=O HMDB0000008 [2,0,0,0,0,0|1,0,0]=3 91 B6R0.3 CC[C@@H](N)C(O)=O HMDB0000650 [2,0,0,0,0,0|0,0,0]=2 92 B6R0.3 CC[C@H](C)C(O)=O HMDB0033742 [2,0,0,0,0,0|1,0,0]=3 93 B6R0.3 CC[C@H](N)C(O)=O HMDB0000452 [2,0,0,0,0,0|0,0,0]=2 94 B6R0.3 C[C@@H](CN)C(O)=O HMDB0002166 [2,0,0,0,0,0|2,0,0]=4 95 B6R0.3 C[C@@H](CO)C(O)=O HMDB0000023 [2,0,0,0,0,0|2,0,0]=4 96 B6R0.3 C[C@H](CN)C(O)=O HMDB0002299 [2,0,0,0,0,0|2,0,0]=4 97 B6R0.3 C[C@H](CO)C(O)=O HMDB0000336 [2,0,0,0,0,0|2,0,0]=4 98 B6R0.3 NC(C=O)C(O)=O HMDB0011602 [2,0,0,0,0,0|1,0,1]=4 99 B6R0.3 NC[C@H](N)C(O)=O HMDB0002006 [2,0,0,0,0,0|1,0,0]=3 100 B6R0.3 N[C@@H](CO)C(O)=O HMDB0000187 [2,0,0,0,0,0|1,0,0]=3 101 B6R0.3 N[C@@H](CS)C(O)=O HMDB0000574 [2,0,0,0,0,0|1,0,0]=3 102 B6R0.3 N[C@@H](C[SeH])C(O)=O HMDB0003288 [2,0,0,0,0,0|1,0,0]=3 103 B6R0.3 N[C@H](CO)C(O)=O HMDB0003406 [2,0,0,0,0,0|1,0,0]=3 104 B6R0.3 N[C@H](CS)C(O)=O HMDB0003417 [2,0,0,0,0,0|1,0,0]=3 105 B6R0.3 OC(CS)C(O)=O HMDB0002127 [2,0,0,0,0,0|2,0,0]=4 106 B6R0.3 OCC(O)C(O)=O HMDB0031818 [2,0,0,0,0,0|2,0,0]=4 107 B6R0.3 OC[C@@H](O)C(O)=O HMDB0000139 [2,0,0,0,0,0|2,0,0]=4 108 B6R0.3 OC[C@H](O)C(O)=O HMDB0006372 [2,0,0,0,0,0|2,0,0]=4 109 B8R0.5 CCCC(=O)CC(O)=O HMDB0010717 [1,1,0,0,0,0|1,0,1]=4 110 B8R0.5 CCCC(C)CC(C)O HMDB0031589 [1,1,0,0,0,0|1,0,1]=4 111 B8R0.5 CCCC(C)OC(C)=O HMDB0031600 [1,1,0,0,0,0|2,0,0]=4 112 B8R0.5 CCOC(=O)CC(O)=O HMDB0000576 [1,1,0,0,0,0|1,0,1]=4 113 B8R0.5 CCOC(C)OC(C)=O HMDB0032158 [1,1,0,0,0,0|2,0,0]=4 114 B8R0.5 [C@@H](O)(CCC)CC(O)=O HMDB0010718 [1,1,0,0,0,0|1,0,0]=3 115 B8R0.16 COC(CC(C)=O)OC HMDB0033851 [1,1,0,0,0,0|2,0,0]=4 116 B8R0.19 COC(=O)CC(C)SC HMDB0032410 [1,1,0,0,0,0|1,0,0]=3 117 B8R0.23 CC(C)[C@@H](N)CC(O)=O HMDB0003640 [1,1,0,0,0,0|1,0,0]=3 118 B8R0.23 CC(CC(O)=O)C(O)=O HMDB0001844 [1,1,0,0,0,0|1,0,1]=4 119 B8R0.3 CCCC(C)C(=O)OC HMDB0036237 [1,1,0,0,0,0|1,0,0]=3 120 B8R0.8 CCCCC(=O)C(O)=O HMDB0001864 [1,1,0,0,0,0|1,0,1]=4 121 B8R0.8 CCCCC(C)C(O)=O HMDB0031594 [1,1,0,0,0,0|1,0,0]=3 122 B8R0.8 CCCCC(O)C(O)=O HMDB0001624 [1,1,0,0,0,0|1,0,0]=3 123 B8R0.8 CCCC[C@H](N)C(O)=O HMDB0001645 [1,1,0,0,0,0|0,0,0]=2 124 B8R0.8 CSCCC(=O)C(O)=O HMDB0001553 [1,1,0,0,0,0|1,0,1]=4 125 B8R0.8 CSCCC(O)C(O)=O HMDB0037115 [1,1,0,0,0,0|1,0,0]=3 126 B8R0.8 C[Se]CCC(N)C(O)=O HMDB0003966 [1,1,0,0,0,0|0,0,0]=2 127 B8R0.8 NC(CCCO)C(O)=O HMDB0031658 [1,1,0,0,0,0|0,0,0]=2 128 B8R0.8 NCCCC(=O)C(O)=O HMDB0006272 [1,1,0,0,0,0|1,0,1]=4 129 B8R0.8 NCCCC(N)C(O)=O HMDB0032455 [1,1,0,0,0,0|0,0,0]=2 130 B8R0.8 NCCC[C@@H](N)C(O)=O HMDB0003374 [1,1,0,0,0,0|0,0,0]=2 131 B8R0.8 NCCC[C@H](N)C(O)=O HMDB0000214 [1,1,0,0,0,0|0,0,0]=2 132 B8R0.8 NOCC[C@H](N)C(O)=O HMDB0012251 [1,1,0,0,0,0|1,0,0]=3 133 B8R0.8 N[C@@H](CCC=O)C(O)=O HMDB0002104 [1,1,0,0,0,0|0,0,1]=3 134 B8R0.14 N[C@@H](CCS)S(O)(=O)=O HMDB0002238 [1,1,0,0,0,0|2,0,0]=4 135 B8R0.27 CC(C)(O)[C@@H](O)C(O)=O HMDB0012141 [1,1,0,0,0,0|1,0,0]=3 136 B8R0.37 CC(O)C(C)(O)C(O)=O HMDB0029576 [1,1,0,0,0,0|2,0,0]=4 137 B10R0.26 CCCS(=O)CC(N)C(O)=O HMDB0029442 [0,1,0,0,0,1|2,0,0]=4 138 B10R0.35 CCOC(=O)C(O)C(C)CC HMDB0032270 [0,2,0,0,0,0|1,0,0]=3 139 B10R0.30 CCCC(C(O)CC)C(O)=O HMDB0013899 [0,2,0,0,0,0|2,0,0]=4 140 B8R1.1 CCC1CCC(=O)O1 HMDB0003843 [1,0,0,1,0,0|2,0,0]=4 141 B8R1.4 CC1CCCC(=O)O1 HMDB0000453 [1,0,0,1,0,0|2,0,0]=4 142 B8R1.4 CC1CCCC(O)C1 HMDB0031538 [1,0,0,1,0,0|1,0,1]=4 143 B8R1.5 CC1CCCCC1=O HMDB0031539 [1,0,0,1,0,0|2,0,0]=4 144 B8R1.5 NC1CCCNC1=O HMDB0000323 [1,0,0,1,0,0|1,0,0]=3 145 B8R1.7 OC(=O)C1CCC=N1 HMDB0001301 [1,0,0,1,0,0|0,0,2]=4 146 B8R1.7 OC(=O)[C@@H]1CCCN1 HMDB0000162 [1,0,0,1,0,0|0,0,0]=2 147 B8R1.7 OC(=O)[C@H]1CCCN1 HMDB0003411 [1,0,0,1,0,0|0,0,0]=2 148 B8R1.50 CC1CCC(=O)C1=O HMDB0031543 [1,0,0,1,0,0|1,0,1]=4 149 B10R1.190 NC(CC1CC1=C)C(O)=O HMDB0029427 [0,0,0,1,0,1|0,0,2]=4 150 B10R1.34 CCC1CC(=O)C(O)=C1C HMDB0039673 [0,1,0,1,0,0|1,0,1]=4 151 B10R1.34 OC[C@H]1OC(=O)[C@H](O)[C@@H]1O HMDB0001900 [0,1,0,1,0,0|2,0,0]=4 152 B10R1.119 O[C@@H]1COC(=O)[C@H](O)[C@H]1O HMDB0011676 [0,1,0,1,0,0|2,0,0]=4 153 B10R1.191 CC1C(C)C(=O)C(O)=C1C HMDB0039652 [0,1,0,1,0,0|1,0,1]=4 154 B8R0.9 CCC(=O)NCC(O)=O HMDB0000783 [1,0,0,0,0,1|1,0,1]=4 155 B10R0.57 CCC(C)C(=O)NCC(O)=O HMDB0000339 [0,0,0,0,0,2|1,0,1]=4 156 B10R0.82 NC[C@H](O)CC[C@H](N)C(O)=O HMDB0000450 [0,0,0,0,0,2|2,0,0]=4