0 B8R0.23 CC(C)/C=C(\C)C(O)=O HMDB0039819 [0,0,0,0,0,0|1,0,2]=3 1 B8R0.23 CC(C)CC(=O)C(C)=O HMDB0031593 [0,0,0,0,0,0|2,0,1]=3 2 B8R0.23 CC(C)CC(=O)C(O)=O HMDB0000695 [0,0,0,0,0,0|1,0,1]=2 3 B8R0.23 CC(C)CC(O)C(O)=O HMDB0000665 [0,0,0,0,0,0|1,0,0]=1 4 B8R0.23 CC(C)C[C@@H](N)C(O)=O HMDB0013773 [0,0,0,0,0,0|0,0,0]=0 5 B8R0.23 CC(C)C[C@@H](O)C(O)=O HMDB0000624 [0,0,0,0,0,0|1,0,0]=1 6 B8R0.23 CC(C)C[C@H](O)C(O)=O HMDB0000746 [0,0,0,0,0,0|1,0,0]=1 7 B8R0.23 CC(CC(O)=O)C(O)=O HMDB0001844 [0,0,0,0,0,0|3,0,1]=4 8 B8R0.23 CS(=O)CC(N)C(O)=O HMDB0029432 [0,0,0,0,0,0|2,0,0]=2 9 B8R0.23 C[C@H](NC(C)=O)C(O)=O HMDB0000766 [0,0,0,0,0,0|3,0,1]=4 10 B8R0.23 N[C@@H](CC(N)=O)C(O)=O HMDB0000168 [0,0,0,0,0,0|2,0,1]=3 11 B8R0.23 N[C@@H](CC(O)=O)C(O)=O HMDB0000191 [0,0,0,0,0,0|2,0,1]=3 12 B8R0.23 N[C@@H](CS(=O)=O)C(O)=O HMDB0000996 [0,0,0,0,0,0|3,0,0]=3 13 B8R0.23 N[C@H](CC(N)=O)C(O)=O HMDB0033780 [0,0,0,0,0,0|2,0,1]=3 14 B8R0.23 N[C@H](CC(O)=O)C(O)=O HMDB0006483 [0,0,0,0,0,0|2,0,1]=3 15 B8R0.23 OC(CC(O)=O)C(O)=O HMDB0000744 [0,0,0,0,0,0|3,0,1]=4 16 B8R0.23 O[C@@H](CC(O)=O)C(O)=O HMDB0000156 [0,0,0,0,0,0|3,0,1]=4 17 B8R0.23 O[C@H](CC(O)=O)C(O)=O HMDB0031518 [0,0,0,0,0,0|3,0,1]=4 18 B7R0.5 C/C=C\C(C)C(O)=O HMDB0031562 [1,0,0,0,0,0|1,0,2]=4 19 B7R0.5 CC(CC=C)C(O)=O HMDB0031158 [1,0,0,0,0,0|1,0,2]=4 20 B7R0.5 CC/C=C(/C)C(O)=O HMDB0031560 [1,0,0,0,0,0|1,0,2]=4 21 B7R0.5 CCCC(=O)C(C)=O HMDB0031491 [1,0,0,0,0,0|2,0,1]=4 22 B7R0.5 CCCC(=O)C(O)=O HMDB0001865 [1,0,0,0,0,0|1,0,1]=3 23 B7R0.5 CCCC(C)C(O)=O HMDB0031580 [1,0,0,0,0,0|1,0,0]=2 24 B7R0.5 CCCC(O)C(O)=O HMDB0001863 [1,0,0,0,0,0|1,0,0]=2 25 B7R0.5 CCC[C@@H](N)C(O)=O HMDB0013716 [1,0,0,0,0,0|0,0,0]=1 26 B7R0.5 C[Se]CC(N)C(O)=O HMDB0031466 [1,0,0,0,0,0|1,0,0]=2 27 B7R0.5 C[Se]C[C@H](N)C(O)=O HMDB0004113 [1,0,0,0,0,0|1,0,0]=2 28 B7R0.5 NC(CCS)C(O)=O HMDB0000742 [1,0,0,0,0,0|1,0,0]=2 29 B7R0.5 NC(CC[SeH])C(O)=O HMDB0004119 [1,0,0,0,0,0|1,0,0]=2 30 B7R0.5 NCCC(=C)C(O)=O HMDB0030409 [1,0,0,0,0,0|2,0,1]=4 31 B7R0.5 NCC[C@H](N)C(O)=O HMDB0006284 [1,0,0,0,0,0|1,0,0]=2 32 B7R0.5 N[C@@H](CC=O)C(O)=O HMDB0012249 [1,0,0,0,0,0|1,0,1]=3 33 B7R0.5 N[C@@H](CCO)C(O)=O HMDB0000719 [1,0,0,0,0,0|1,0,0]=2 34 B7R0.5 N[C@H](CSS)C(O)=O HMDB0003585 [1,0,0,0,0,0|2,0,0]=3 35 B7R0.5 OCCC(=O)C(O)=O HMDB0031204 [1,0,0,0,0,0|2,0,1]=4 36 B7R0.5 OCCC(O)C(O)=O HMDB0000360 [1,0,0,0,0,0|2,0,0]=3 37 B7R0.6 CC(=C)CCC(C)=O HMDB0031551 [1,0,0,0,0,0|1,0,2]=4 38 B7R0.6 CC(=O)CCC(O)=O HMDB0000720 [1,0,0,0,0,0|1,0,1]=3 39 B7R0.6 CC(=O)NCC(O)=O HMDB0000532 [1,0,0,0,0,0|2,0,1]=4 40 B7R0.6 CC(C)/C=C\C(C)=O HMDB0031550 [1,0,0,0,0,0|1,0,2]=4 41 B7R0.6 CC(C)/C=C\C(O)=O HMDB0031561 [1,0,0,0,0,0|0,0,2]=3 42 B7R0.6 CC(C)CCC(C)=O HMDB0031549 [1,0,0,0,0,0|1,0,0]=2 43 B7R0.6 CC(C)CCC(O)=O HMDB0000689 [1,0,0,0,0,0|0,0,0]=1 44 B7R0.6 CC(C)COC(C)=O HMDB0031246 [1,0,0,0,0,0|2,0,0]=3 45 B7R0.6 OC(=O)CCC(O)=O HMDB0000254 [1,0,0,0,0,0|2,0,1]=4 46 B9R0.23 COC(=O)C(O)CC(C)C HMDB0036231 [0,1,0,0,0,0|1,0,0]=2 47 B9R0.42 N[C@@H](CC(=O)NO)C(O)=O HMDB0032332 [0,1,0,0,0,0|2,0,1]=4 48 B9R0.42 N[C@@H](C[C@@H](O)C=O)C(O)=O HMDB0006556 [0,1,0,0,0,0|1,0,1]=3 49 B9R0.57 C[As+](C)(C)CC(O)C([O-])=O HMDB0032684 [0,1,0,0,0,0|2,0,1]=4 50 B9R0.57 NC(CP(O)(O)=O)C(O)=O HMDB0000370 [0,1,0,0,0,0|3,0,0]=4 51 B9R0.57 NC(CS(O)(=O)=O)C(O)=O HMDB0002757 [0,1,0,0,0,0|3,0,0]=4 52 B9R0.79 CC(O)C(C)C(N)C(O)=O HMDB0029449 [0,1,0,0,0,0|1,0,0]=2 53 B9R1.35 CC1CNC(C1)C(O)=O HMDB0029435 [0,0,0,1,0,0|0,0,0]=1 54 B9R1.35 OC(=O)C1CC(=C)CN1 HMDB0029434 [0,0,0,1,0,0|0,0,2]=3 55 B9R1.35 OC1CC(N=C1)C(O)=O HMDB0001369 [0,0,0,1,0,0|1,0,2]=4 56 B9R1.35 OC1CN=C(C1)C(O)=O HMDB0002234 [0,0,0,1,0,0|1,0,2]=4 57 B9R1.35 OC1CN[C@@H](C1)C(O)=O HMDB0006055 [0,0,0,1,0,0|1,0,0]=2 58 B9R1.35 O[C@H]1CN[C@@H](C1)C(O)=O HMDB0000725 [0,0,0,1,0,0|1,0,0]=2 59 B9R1.36 CC1CC(C)(C)CC1=O HMDB0031197 [0,0,0,1,0,0|2,0,0]=3 60 B7R0.16 CC(=O)[C@H](N)C(O)=O HMDB0006454 [0,0,0,0,1,0|1,0,1]=3 61 B7R0.16 CC(C(C)=O)C(O)=O HMDB0003771 [0,0,0,0,1,0|2,0,1]=4 62 B7R0.16 CC(C)C(=O)C(C)=O HMDB0031559 [0,0,0,0,1,0|2,0,1]=4 63 B7R0.16 CC(C)C(=O)C(O)=O HMDB0000019 [0,0,0,0,1,0|1,0,1]=3 64 B7R0.16 CC(C)C(O)C(O)=O HMDB0000407 [0,0,0,0,1,0|1,0,0]=2 65 B7R0.16 CC(O)C(C)C(O)=O HMDB0000354 [0,0,0,0,1,0|2,0,0]=3 66 B7R0.16 C[C@@H](O)[C@@H](C)C(O)=O HMDB0000410 [0,0,0,0,1,0|2,0,0]=3 67 B7R0.16 C[C@@H](O)[C@@H](O)C(O)=O HMDB0000498 [0,0,0,0,1,0|2,0,0]=3 68 B7R0.16 C[C@@H](O)[C@H](C)C(O)=O HMDB0000351 [0,0,0,0,1,0|2,0,0]=3 69 B7R0.16 C[C@@H](O)[C@H](C)C(O)=O HMDB0000642 [0,0,0,0,1,0|2,0,0]=3 70 B7R0.16 C[C@@H](O)[C@H](O)C(O)=O HMDB0002453 [0,0,0,0,1,0|2,0,0]=3 71 B7R0.16 C[C@H](O)[C@H](N)C(O)=O HMDB0004041 [0,0,0,0,1,0|1,0,0]=2 72 B7R0.16 NC(C(O)=O)C(O)=O HMDB0001147 [0,0,0,0,1,0|2,0,1]=4 73 B9R0.7 CC(=O)OC[C@H](N)C(O)=O HMDB0003011 [0,0,0,0,0,1|1,0,1]=3 74 B9R0.7 CS(=O)CCC(N)C(O)=O HMDB0002005 [0,0,0,0,0,1|2,0,0]=3 75 B9R0.7 NC(CCS(O)=O)C(O)=O HMDB0006462 [0,0,0,0,0,1|3,0,0]=4 76 B9R0.7 NC(CNN(=O)=O)C(O)=O HMDB0029398 [0,0,0,0,0,1|3,0,0]=4 77 B9R0.7 N[C@@H](CCC(N)=O)C(O)=O HMDB0000641 [0,0,0,0,0,1|2,0,1]=4 78 B9R0.7 N[C@@H](CCC(O)=O)C(O)=O HMDB0000148 [0,0,0,0,0,1|2,0,1]=4 79 B9R0.7 N[C@H](CCC(N)=O)C(O)=O HMDB0003423 [0,0,0,0,0,1|2,0,1]=4 80 B9R0.53 CC(C)CC(O)CC(O)=O HMDB0002207 [0,0,0,0,0,1|1,0,0]=2 81 B9R0.53 C[C@H](N)CC(=O)CC(O)=O HMDB0012131 [0,0,0,0,0,1|2,0,1]=4 82 B9R0.53 C[C@H](N)C[C@H](N)CC(O)=O HMDB0012115 [0,0,0,0,0,1|1,0,0]=2 83 B6R0.1 CCCC(C)C=O HMDB0031578 [2,0,0,0,0,0|1,0,0]=3 84 B6R0.1 CCCC(O)C=C HMDB0031503 [2,0,0,0,0,0|2,0,0]=4 85 B6R0.2 CC(C)CC(C)=O HMDB0002939 [2,0,0,0,0,0|1,0,1]=4 86 B6R0.2 CC(C)CC(O)=O HMDB0000718 [2,0,0,0,0,0|1,0,1]=4 87 B6R0.4 CC(C)/C=C\C=O HMDB0031196 [2,0,0,0,0,0|0,0,2]=4 88 B6R0.4 CC(C)CCC=O HMDB0001318 [2,0,0,0,0,0|0,0,0]=2 89 B6R0.4 CC(C)COC=O HMDB0031247 [2,0,0,0,0,0|1,0,0]=3 90 B6R0.4 CC/C=C/C(O)=O HMDB0032459 [2,0,0,0,0,0|0,0,2]=4 91 B6R0.4 CCCCC(C)=O HMDB0005842 [2,0,0,0,0,0|1,0,0]=3 92 B6R0.4 CCCCC(O)=O HMDB0000892 [2,0,0,0,0,0|0,0,0]=2 93 B6R0.4 CCNCC(O)=O HMDB0041945 [2,0,0,0,0,0|1,0,0]=3 94 B6R0.4 CCOCC(O)=O HMDB0031212 [2,0,0,0,0,0|1,0,0]=3 95 B6R0.4 CSCCC(C)=O HMDB0031316 [2,0,0,0,0,0|2,0,0]=4 96 B6R0.4 CSCCC(O)=O HMDB0001527 [2,0,0,0,0,0|1,0,0]=3 97 B6R0.4 NCCCC(O)=O HMDB0000112 [2,0,0,0,0,0|1,0,0]=3 98 B6R0.4 OC(=O)CCC=C HMDB0031602 [2,0,0,0,0,0|0,0,2]=4 99 B6R0.4 OC(=O)CCC=O HMDB0001259 [2,0,0,0,0,0|1,0,1]=4 100 B6R0.4 OCCCC(O)=O HMDB0000710 [2,0,0,0,0,0|1,0,0]=3 101 B6R0.3 CC(CN)C(O)=O HMDB0003911 [2,0,0,0,0,0|2,0,0]=4 102 B6R0.3 CCC(=C)C(O)=O HMDB0001862 [2,0,0,0,0,0|1,0,1]=4 103 B6R0.3 CCC(=O)C(O)=O HMDB0000005 [2,0,0,0,0,0|1,0,1]=4 104 B6R0.3 CCC(C)C(O)=O HMDB0002176 [2,0,0,0,0,0|1,0,0]=3 105 B6R0.3 CCC(O)C(O)=O HMDB0000008 [2,0,0,0,0,0|1,0,0]=3 106 B6R0.3 CC[C@@H](N)C(O)=O HMDB0000650 [2,0,0,0,0,0|0,0,0]=2 107 B6R0.3 CC[C@H](C)C(O)=O HMDB0033742 [2,0,0,0,0,0|1,0,0]=3 108 B6R0.3 CC[C@H](N)C(O)=O HMDB0000452 [2,0,0,0,0,0|0,0,0]=2 109 B6R0.3 C[C@@H](CN)C(O)=O HMDB0002166 [2,0,0,0,0,0|2,0,0]=4 110 B6R0.3 C[C@@H](CO)C(O)=O HMDB0000023 [2,0,0,0,0,0|2,0,0]=4 111 B6R0.3 C[C@H](CN)C(O)=O HMDB0002299 [2,0,0,0,0,0|2,0,0]=4 112 B6R0.3 C[C@H](CO)C(O)=O HMDB0000336 [2,0,0,0,0,0|2,0,0]=4 113 B6R0.3 NC(C=O)C(O)=O HMDB0011602 [2,0,0,0,0,0|1,0,1]=4 114 B6R0.3 NC[C@H](N)C(O)=O HMDB0002006 [2,0,0,0,0,0|1,0,0]=3 115 B6R0.3 N[C@@H](CO)C(O)=O HMDB0000187 [2,0,0,0,0,0|1,0,0]=3 116 B6R0.3 N[C@@H](CS)C(O)=O HMDB0000574 [2,0,0,0,0,0|1,0,0]=3 117 B6R0.3 N[C@@H](C[SeH])C(O)=O HMDB0003288 [2,0,0,0,0,0|1,0,0]=3 118 B6R0.3 N[C@H](CO)C(O)=O HMDB0003406 [2,0,0,0,0,0|1,0,0]=3 119 B6R0.3 N[C@H](CS)C(O)=O HMDB0003417 [2,0,0,0,0,0|1,0,0]=3 120 B6R0.3 OC(CS)C(O)=O HMDB0002127 [2,0,0,0,0,0|2,0,0]=4 121 B6R0.3 OCC(O)C(O)=O HMDB0031818 [2,0,0,0,0,0|2,0,0]=4 122 B6R0.3 OC[C@@H](O)C(O)=O HMDB0000139 [2,0,0,0,0,0|2,0,0]=4 123 B6R0.3 OC[C@H](O)C(O)=O HMDB0006372 [2,0,0,0,0,0|2,0,0]=4 124 B8R0.16 OCC(CC)CC(C)C HMDB0013818 [1,1,0,0,0,0|1,0,1]=4 125 B8R0.3 CCCC(C)C(=O)OC HMDB0036237 [1,1,0,0,0,0|1,0,0]=3 126 B8R0.8 CCCCC(=O)C(O)=O HMDB0001864 [1,1,0,0,0,0|1,0,1]=4 127 B8R0.8 CCCCC(C)C(O)=O HMDB0031594 [1,1,0,0,0,0|1,0,0]=3 128 B8R0.8 CCCCC(O)C(O)=O HMDB0001624 [1,1,0,0,0,0|1,0,0]=3 129 B8R0.8 CCCC[C@H](N)C(O)=O HMDB0001645 [1,1,0,0,0,0|0,0,0]=2 130 B8R0.8 CSCCC(=O)C(O)=O HMDB0001553 [1,1,0,0,0,0|1,0,1]=4 131 B8R0.8 CSCCC(O)C(O)=O HMDB0037115 [1,1,0,0,0,0|1,0,0]=3 132 B8R0.8 C[Se]CCC(N)C(O)=O HMDB0003966 [1,1,0,0,0,0|0,0,0]=2 133 B8R0.8 NC(CCCO)C(O)=O HMDB0031658 [1,1,0,0,0,0|0,0,0]=2 134 B8R0.8 NCCCC(=O)C(O)=O HMDB0006272 [1,1,0,0,0,0|1,0,1]=4 135 B8R0.8 NCCCC(N)C(O)=O HMDB0032455 [1,1,0,0,0,0|0,0,0]=2 136 B8R0.8 NCCC[C@@H](N)C(O)=O HMDB0003374 [1,1,0,0,0,0|0,0,0]=2 137 B8R0.8 NCCC[C@H](N)C(O)=O HMDB0000214 [1,1,0,0,0,0|0,0,0]=2 138 B8R0.8 NOCC[C@H](N)C(O)=O HMDB0012251 [1,1,0,0,0,0|1,0,0]=3 139 B8R0.8 N[C@@H](CCC=O)C(O)=O HMDB0002104 [1,1,0,0,0,0|0,0,1]=3 140 B8R0.14 N[C@@H](CCS)S(O)(=O)=O HMDB0002238 [1,1,0,0,0,0|2,0,0]=4 141 B8R0.9 C/C=C(/C)CCC(C)=O HMDB0031591 [1,1,0,0,0,0|1,0,1]=4 142 B8R0.9 COC(=O)CCC(C)C HMDB0036238 [1,1,0,0,0,0|0,0,0]=2 143 B8R0.9 NCC(=O)CCC(O)=O HMDB0001149 [1,1,0,0,0,0|1,0,1]=4 144 B8R0.27 CC(C)(O)[C@@H](O)C(O)=O HMDB0012141 [0,1,0,0,1,0|1,0,0]=3 145 B8R0.37 CC(O)C(C)(O)C(O)=O HMDB0029576 [0,1,0,0,1,0|2,0,0]=4 146 B10R0.82 NC[C@H](O)CC[C@H](N)C(O)=O HMDB0000450 [0,1,0,0,0,1|1,0,0]=3 147 B10R0.92 CS(=N)(=O)CCC(N)C(O)=O HMDB0029430 [0,1,0,0,0,1|2,0,0]=4 148 B10R0.56 C[C@H](O)[C@@H](O)[C@H](O)C(=O)CO HMDB0010207 [0,2,0,0,0,0|2,0,0]=4 149 B10R0.56 OC[C@@H](O)[C@@H](O)[C@@H](O)C(O)=O HMDB0000867 [0,2,0,0,0,0|2,0,0]=4 150 B10R0.56 OC[C@@H](O)[C@@H](O)[C@H](O)C(O)=O HMDB0000539 [0,2,0,0,0,0|2,0,0]=4 151 B10R0.23 CCCC(CC(C)O)C(O)=O HMDB0013900 [0,2,0,0,0,0|2,0,0]=4 152 B10R0.26 C/C=C\S(=O)CC(N)C(O)=O HMDB0029441 [0,2,0,0,0,0|2,0,0]=4 153 B10R0.26 CCCS(=O)CC(N)C(O)=O HMDB0029442 [0,2,0,0,0,0|2,0,0]=4 154 B8R1.5 CC1CCCCC1=O HMDB0031539 [1,0,0,1,0,0|2,0,0]=4 155 B8R1.5 NC1CCCNC1=O HMDB0000323 [1,0,0,1,0,0|1,0,0]=3 156 B8R1.7 OC(=O)C1CCC=N1 HMDB0001301 [1,0,0,1,0,0|0,0,2]=4 157 B8R1.7 OC(=O)[C@@H]1CCCN1 HMDB0000162 [1,0,0,1,0,0|0,0,0]=2 158 B8R1.7 OC(=O)[C@H]1CCCN1 HMDB0003411 [1,0,0,1,0,0|0,0,0]=2 159 B8R1.3 CC1CCC(=O)CC1 HMDB0031540 [1,0,0,1,0,0|1,0,0]=3 160 B8R1.50 O[C@@H]1COC(=O)[C@@H]1O HMDB0000349 [0,0,0,1,1,0|2,0,0]=4 161 B8R1.50 O[C@H]1COC(=O)[C@@H]1O HMDB0000940 [0,0,0,1,1,0|2,0,0]=4 162 B10R1.13 OC1CCC(CC1)C(O)=O HMDB0001988 [0,0,0,1,0,1|2,0,0]=4 163 B10R1.13 OC1CCC(NC1)C(O)=O HMDB0029426 [0,0,0,1,0,1|1,0,0]=3 164 B10R1.190 NC(CC1CC1=C)C(O)=O HMDB0029427 [0,0,0,1,0,1|0,0,2]=4 165 B10R1.119 O[C@@H]1COC(=O)[C@H](O)[C@H]1O HMDB0011676 [0,1,0,1,0,0|2,0,0]=4 166 B8R0.28 CC(C)=CCCC(C)=O HMDB0035915 [1,0,0,0,0,1|1,0,1]=4 167 B8R0.28 CC(C)C/C=C/C(C)=O HMDB0032403 [1,0,0,0,0,1|1,0,1]=4 168 B8R0.28 CC(C)CCCC(O)=O HMDB0031595 [1,0,0,0,0,1|0,0,0]=2 169 B8R0.28 CC(C)CCOC(C)=O HMDB0031528 [1,0,0,0,0,1|1,0,0]=3 170 B8R0.28 CC(O)CCCC(O)=O HMDB0000525 [1,0,0,0,0,1|1,0,0]=3 171 B8R0.28 C[C@@H](O)CCCC(O)=O HMDB0000409 [1,0,0,0,0,1|1,0,0]=3 172 B10R0.98 CC(=O)NCC[C@H](N)C(O)=O HMDB0031411 [0,0,0,0,0,2|1,0,1]=4 173 B10R0.98 CC(=O)OCCC(N)C(O)=O HMDB0029423 [0,0,0,0,0,2|1,0,1]=4