0 B7R0.6 CC(=C)CCC(C)=O HMDB0031551 [0,0,0,0,0,0|1,0,2]=3 1 B7R0.6 CC(=O)CCC(O)=O HMDB0000720 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.6 CC(=O)NCC(O)=O HMDB0000532 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.6 CC(C)/C=C\C(C)=O HMDB0031550 [0,0,0,0,0,0|1,0,1]=2 4 B7R0.6 CC(C)/C=C\C(O)=O HMDB0031561 [0,0,0,0,0,0|2,0,1]=3 5 B7R0.6 CC(C)CCC(C)=O HMDB0031549 [0,0,0,0,0,0|1,0,0]=1 6 B7R0.6 CC(C)CCC(O)=O HMDB0000689 [0,0,0,0,0,0|2,0,0]=2 7 B7R0.6 CC(C)COC(C)=O HMDB0031246 [0,0,0,0,0,0|0,0,0]=0 8 B7R0.6 CC(C)SSC(C)C HMDB0029578 [0,0,0,0,0,0|2,1,1]=4 9 B6R0.4 CC(C)/C=C\C=O HMDB0031196 [1,0,0,0,0,0|1,0,1]=3 10 B6R0.4 CC(C)CCC=O HMDB0001318 [1,0,0,0,0,0|1,0,0]=2 11 B6R0.4 CC(C)CN=C=S HMDB0032345 [1,0,0,0,0,0|1,1,1]=4 12 B6R0.4 CC(C)COC=O HMDB0031247 [1,0,0,0,0,0|0,0,0]=1 13 B6R0.4 CC/C=C/C(O)=O HMDB0032459 [1,0,0,0,0,0|2,0,1]=4 14 B6R0.4 CCCCC(C)=O HMDB0005842 [1,0,0,0,0,0|1,0,0]=2 15 B6R0.4 CCCCC(O)=O HMDB0000892 [1,0,0,0,0,0|2,0,0]=3 16 B6R0.4 CCNCC(O)=O HMDB0041945 [1,0,0,0,0,0|3,0,0]=4 17 B6R0.4 CCOCC(O)=O HMDB0031212 [1,0,0,0,0,0|3,0,0]=4 18 B6R0.4 CSCCC(C)=O HMDB0031316 [1,0,0,0,0,0|2,0,0]=3 19 B6R0.4 CSCCC(O)=O HMDB0001527 [1,0,0,0,0,0|3,0,0]=4 20 B6R0.4 NCCCC(O)=O HMDB0000112 [1,0,0,0,0,0|3,0,0]=4 21 B6R0.4 OCCCC(O)=O HMDB0000710 [1,0,0,0,0,0|3,0,0]=4 22 B8R0.9 C/C=C(/C)CCC(C)=O HMDB0031591 [0,1,0,0,0,0|1,0,1]=3 23 B8R0.9 CC(=O)OC[C@@H](O)CO HMDB0012485 [0,1,0,0,0,0|1,0,0]=2 24 B8R0.9 CC(O)COC(C)CO HMDB0032478 [0,1,0,0,0,0|1,0,2]=4 25 B8R0.9 COC(=O)CCC(C)C HMDB0036238 [0,1,0,0,0,0|1,0,0]=2 26 B8R0.23 CC(C)/C=C(\C)C(O)=O HMDB0039819 [0,1,0,0,0,0|2,0,1]=4 27 B8R0.23 CC(C)CC(=O)C(C)=O HMDB0031593 [0,1,0,0,0,0|1,0,0]=2 28 B8R0.23 CC(C)CC(=O)C(O)=O HMDB0000695 [0,1,0,0,0,0|2,0,0]=3 29 B8R0.23 CC(C)CC(O)C(O)=O HMDB0000665 [0,1,0,0,0,0|2,0,0]=3 30 B8R0.23 CC(C)C[C@@H](N)C(O)=O HMDB0013773 [0,1,0,0,0,0|2,0,0]=3 31 B8R0.23 CC(C)C[C@@H](O)C(O)=O HMDB0000624 [0,1,0,0,0,0|2,0,0]=3 32 B8R0.23 CC(C)C[C@H](O)C(O)=O HMDB0000746 [0,1,0,0,0,0|2,0,0]=3 33 B8R0.23 CC(C)[C@@H](N)CC(O)=O HMDB0003640 [0,1,0,0,0,0|2,0,0]=3 34 B8R1.3 CC1CCC(=O)CC1 HMDB0031540 [0,0,0,1,0,0|1,0,0]=2 35 B6R0.2 CC(=C)CC(C)=O HMDB0031564 [0,0,0,0,1,0|0,0,2]=3 36 B6R0.2 CC(=C)OC(C)=O HMDB0032351 [0,0,0,0,1,0|0,0,2]=3 37 B6R0.2 CC(=O)CC(C)=O HMDB0031648 [0,0,0,0,1,0|1,0,1]=3 38 B6R0.2 CC(=O)CC(O)=O HMDB0000060 [0,0,0,0,1,0|2,0,1]=4 39 B6R0.2 CC(=O)OC(C)=O HMDB0031646 [0,0,0,0,1,0|1,0,1]=3 40 B6R0.2 CC(C)=CC(C)=O HMDB0031563 [0,0,0,0,1,0|0,0,2]=3 41 B6R0.2 CC(C)=CC(O)=O HMDB0000509 [0,0,0,0,1,0|1,0,2]=4 42 B6R0.2 CC(C)CC(C)=O HMDB0002939 [0,0,0,0,1,0|0,0,0]=1 43 B6R0.2 CC(C)CC(O)=O HMDB0000718 [0,0,0,0,1,0|1,0,0]=2 44 B6R0.2 CC(C)OC(C)=O HMDB0031241 [0,0,0,0,1,0|0,0,0]=1 45 B6R0.2 CC(C)SC(C)C HMDB0029579 [0,0,0,0,1,0|1,1,1]=4 46 B6R0.2 CC(N)CC(O)=O HMDB0031654 [0,0,0,0,1,0|2,0,0]=3 47 B6R0.2 CC(O)CC(O)=O HMDB0000357 [0,0,0,0,1,0|2,0,0]=3 48 B6R0.2 CC(S)CC(C)=O HMDB0032376 [0,0,0,0,1,0|1,0,0]=2 49 B6R0.2 CN(C)CC(O)=O HMDB0000092 [0,0,0,0,1,0|2,0,0]=3 50 B6R0.2 C[C@@H](O)CC(O)=O HMDB0000011 [0,0,0,0,1,0|2,0,0]=3 51 B6R0.2 C[C@H](O)CC(O)=O HMDB0000442 [0,0,0,0,1,0|2,0,0]=3 52 B8R0.28 CC(=C)CCOC(C)=O HMDB0032391 [0,0,0,0,0,1|0,0,2]=3 53 B8R0.28 CC(C)/C=C\C=C(C)C HMDB0031415 [0,0,0,0,0,1|2,0,1]=4 54 B8R0.28 CC(C)=C/C=C\C(C)=O HMDB0031582 [0,0,0,0,0,1|1,0,2]=4 55 B8R0.28 CC(C)=CCCC(C)=O HMDB0035915 [0,0,0,0,0,1|1,0,1]=3 56 B8R0.28 CC(C)=CCOC(C)=O HMDB0029314 [0,0,0,0,0,1|0,0,1]=2 57 B8R0.28 CC(C)=CCSC(C)=O HMDB0031698 [0,0,0,0,0,1|0,1,1]=3 58 B8R0.28 CC(C)C/C=C/C(C)=O HMDB0032403 [0,0,0,0,0,1|1,0,0]=2 59 B8R0.28 CC(C)CCCC(O)=O HMDB0031595 [0,0,0,0,0,1|2,0,0]=3 60 B8R0.28 CC(C)CCOC(C)=O HMDB0031528 [0,0,0,0,0,1|0,0,0]=1 61 B8R0.28 CC(O)CCC=C(C)C HMDB0030030 [0,0,0,0,0,1|3,0,0]=4 62 B8R0.28 CC(O)CCCC(O)=O HMDB0000525 [0,0,0,0,0,1|3,0,0]=4 63 B8R0.28 C[C@@H](O)CCCC(O)=O HMDB0000409 [0,0,0,0,0,1|3,0,0]=4 64 B5R0.1 C/C=C/C(C)=O HMDB0001184 [2,0,0,0,0,0|0,0,2]=4 65 B5R0.1 CC(=C)CCO HMDB0030126 [2,0,0,0,0,0|2,0,0]=4 66 B5R0.1 CC(=O)CC=C HMDB0031606 [2,0,0,0,0,0|0,0,2]=4 67 B5R0.1 CC(=O)OC=C HMDB0031209 [2,0,0,0,0,0|0,0,2]=4 68 B5R0.1 CC(C)=CC=O HMDB0012157 [2,0,0,0,0,0|0,0,2]=4 69 B5R0.1 CC(C)CCN HMDB0031659 [2,0,0,0,0,0|1,0,1]=4 70 B5R0.1 CC(C)CCO HMDB0006007 [2,0,0,0,0,0|0,0,2]=4 71 B5R0.1 CCCC(O)=O HMDB0000039 [2,0,0,0,0,0|1,0,0]=3 72 B5R0.1 CCNC(C)=O HMDB0031215 [2,0,0,0,0,0|1,0,0]=3 73 B5R0.1 CCOC(C)=O HMDB0031217 [2,0,0,0,0,0|0,0,0]=2 74 B5R0.1 CCOC(N)=O HMDB0031219 [2,0,0,0,0,0|1,0,0]=3 75 B5R0.1 CCOC(O)=O HMDB0031232 [2,0,0,0,0,0|1,0,0]=3 76 B5R0.1 CCSC(C)=O HMDB0031190 [2,0,0,0,0,0|0,1,0]=3 77 B5R0.1 CNCC(O)=O HMDB0000271 [2,0,0,0,0,0|2,0,0]=4 78 B5R0.1 COCC(O)=O HMDB0041929 [2,0,0,0,0,0|2,0,0]=4 79 B5R0.1 NCCC(O)=O HMDB0000056 [2,0,0,0,0,0|2,0,0]=4 80 B5R0.1 OC(=O)CCI HMDB0031252 [2,0,0,0,0,0|2,0,0]=4 81 B5R0.1 OCCC(O)=O HMDB0000700 [2,0,0,0,0,0|2,0,0]=4 82 B5R0.2 CC/C=C\C=O HMDB0031601 [2,0,0,0,0,0|1,0,1]=4 83 B5R0.2 CCCCC=O HMDB0031206 [2,0,0,0,0,0|1,0,0]=3 84 B5R0.2 CCCCCC HMDB0029600 [2,0,0,0,0,0|1,0,1]=4 85 B5R0.2 CCCSSC HMDB0031872 [2,0,0,0,0,0|1,1,0]=4 86 B5R0.2 CCOCCO HMDB0031213 [2,0,0,0,0,0|1,0,1]=4 87 B5R0.2 CSCCC=O HMDB0031857 [2,0,0,0,0,0|2,0,0]=4 88 B5R0.2 NCCCC=O HMDB0001080 [2,0,0,0,0,0|2,0,0]=4 89 B7R0.2 CCC(=O)CC(C)C HMDB0005841 [1,1,0,0,0,0|1,0,1]=4 90 B7R0.2 CCC(C)CC(O)=O HMDB0033774 [1,1,0,0,0,0|2,0,0]=4 91 B7R0.2 CCC(O)CC(O)=O HMDB0000531 [1,1,0,0,0,0|2,0,0]=4 92 B7R0.2 COC(=O)CC(C)C HMDB0030027 [1,1,0,0,0,0|2,0,0]=4 93 B7R0.2 CSC(C)CC(C)=O HMDB0032430 [1,1,0,0,0,0|2,0,0]=4 94 B7R0.3 CCC(=O)OCC=C HMDB0029487 [1,1,0,0,0,0|0,0,2]=4 95 B7R0.3 CCCCC(=O)CC HMDB0031482 [1,1,0,0,0,0|1,0,0]=3 96 B7R0.3 CCCCC(=O)OC HMDB0031207 [1,1,0,0,0,0|1,0,0]=3 97 B7R0.3 CCCCC(C)CC HMDB0031583 [1,1,0,0,0,0|1,0,1]=4 98 B7R0.3 CCCOC(=O)CC HMDB0030059 [1,1,0,0,0,0|0,0,0]=2 99 B7R0.3 COC(=O)CCSC HMDB0034377 [1,1,0,0,0,0|2,0,0]=4 100 B7R0.4 CC(=O)NCCC=O HMDB0012880 [1,1,0,0,0,0|1,0,1]=4 101 B7R0.4 CC(C)=CCOC=O HMDB0032490 [1,1,0,0,0,0|0,0,1]=3 102 B7R0.4 CC/C=C\CC(C)O HMDB0041320 [1,1,0,0,0,0|2,0,0]=4 103 B7R0.4 CCC/C=C/C(C)=O HMDB0031486 [1,1,0,0,0,0|1,0,0]=3 104 B7R0.4 CCC/C=C/C(O)=O HMDB0010719 [1,1,0,0,0,0|2,0,0]=4 105 B7R0.4 CCCCCC(C)=O HMDB0003671 [1,1,0,0,0,0|1,0,0]=3 106 B7R0.4 CCCCCC(O)=O HMDB0000535 [1,1,0,0,0,0|2,0,0]=4 107 B7R0.4 CCCCNC(C)=O HMDB0031651 [1,1,0,0,0,0|1,0,0]=3 108 B7R0.4 CCCCOC(C)=O HMDB0031325 [1,1,0,0,0,0|0,0,0]=2 109 B7R0.4 CCCNCC(C)C HMDB0031244 [1,1,0,0,0,0|1,0,1]=4 110 B7R0.4 CSSCCC(C)C HMDB0032408 [1,1,0,0,0,0|1,1,0]=4 111 B7R0.4 NCCCCC(N)=O HMDB0012176 [1,1,0,0,0,0|2,0,0]=4 112 B7R0.4 NCCCCC(O)=O HMDB0003355 [1,1,0,0,0,0|2,0,0]=4 113 B7R0.5 CCCC(=O)C(C)=O HMDB0031491 [1,1,0,0,0,0|1,0,0]=3 114 B7R0.5 CCCC(=O)C(O)=O HMDB0001865 [1,1,0,0,0,0|2,0,0]=4 115 B7R0.5 CCCC(C)C(O)=O HMDB0031580 [1,1,0,0,0,0|2,0,0]=4 116 B7R0.5 CCCC(O)C(O)=O HMDB0001863 [1,1,0,0,0,0|2,0,0]=4 117 B7R0.5 CCC[C@@H](N)C(O)=O HMDB0013716 [1,1,0,0,0,0|2,0,0]=4 118 B7R0.5 CCOC(=O)C(C)C HMDB0031248 [1,1,0,0,0,0|0,0,2]=4 119 B7R0.9 CC(=O)CC(C)(C)O HMDB0031511 [0,1,0,0,1,0|0,0,0]=2 120 B7R0.9 CC(=O)CC(C)(C)S HMDB0031519 [0,1,0,0,1,0|0,0,0]=2 121 B7R0.9 CC(=O)C[N+](C)(C)C HMDB0012296 [0,1,0,0,1,0|1,0,0]=3 122 B7R0.9 CC(C)(O)CC(O)=O HMDB0000754 [0,1,0,0,1,0|1,0,0]=3 123 B7R0.9 CC(O)CC(C)(C)S HMDB0032375 [0,1,0,0,1,0|0,0,2]=4 124 B7R0.9 C[N+](C)(C)CC([O-])=O HMDB0000043 [0,1,0,0,1,0|2,0,0]=4 125 B7R0.16 CC(C)C(=O)C(C)=O HMDB0031559 [0,1,0,0,1,0|0,0,1]=3 126 B7R0.16 CC(C)C(=O)C(O)=O HMDB0000019 [0,1,0,0,1,0|1,0,1]=4 127 B7R0.16 CC(C)C(O)C(O)=O HMDB0000407 [0,1,0,0,1,0|1,0,0]=3 128 B7R0.16 CC(O)C(C)C(O)=O HMDB0000354 [0,1,0,0,1,0|2,0,0]=4 129 B7R0.16 C[C@@H](O)[C@@H](C)C(O)=O HMDB0000410 [0,1,0,0,1,0|2,0,0]=4 130 B7R0.16 C[C@@H](O)[C@@H](O)C(O)=O HMDB0000498 [0,1,0,0,1,0|2,0,0]=4 131 B7R0.16 C[C@@H](O)[C@H](C)C(O)=O HMDB0000351 [0,1,0,0,1,0|2,0,0]=4 132 B7R0.16 C[C@@H](O)[C@H](C)C(O)=O HMDB0000642 [0,1,0,0,1,0|2,0,0]=4 133 B7R0.16 C[C@@H](O)[C@H](O)C(O)=O HMDB0002453 [0,1,0,0,1,0|2,0,0]=4 134 B7R0.16 C[C@H](O)[C@H](N)C(O)=O HMDB0004041 [0,1,0,0,1,0|2,0,0]=4 135 B9R0.1 CC(CO)CCCC(C)=C HMDB0037304 [0,1,0,0,0,1|2,0,0]=4 136 B9R0.1 COC(=O)CCCC(C)C HMDB0031596 [0,1,0,0,0,1|1,0,0]=3 137 B9R0.53 CC(C)CC(=O)OC(C)C HMDB0032046 [0,1,0,0,0,1|1,0,1]=4 138 B9R0.53 CC(C)CC(O)CC(O)=O HMDB0002207 [0,1,0,0,0,1|2,0,0]=4 139 B9R0.56 CC(=O)OCC[N+](C)(C)C HMDB0000895 [0,1,0,0,0,1|1,0,0]=3 140 B9R0.23 COC(=O)C(O)CC(C)C HMDB0036231 [0,2,0,0,0,0|1,0,0]=3 141 B9R0.24 CCC(=O)OCC(O)CO HMDB0031639 [0,2,0,0,0,0|1,0,0]=3 142 B9R0.43 CCC(CC)COC(C)=O HMDB0031703 [0,2,0,0,0,0|0,0,0]=2 143 B9R0.48 C/C=C\C(=O)OCC(C)C HMDB0036212 [0,2,0,0,0,0|0,0,0]=2 144 B9R0.48 CCCC(=O)OCC(C)=C HMDB0036236 [0,2,0,0,0,0|0,0,2]=4 145 B9R0.48 CCCC(=O)OCC(C)C HMDB0034161 [0,2,0,0,0,0|0,0,0]=2 146 B9R0.48 CCOC(=O)CCC(C)C HMDB0032272 [0,2,0,0,0,0|1,0,0]=3 147 B7R1.2 CC1COC(=O)C1 HMDB0002167 [1,0,0,1,0,0|0,0,0]=2 148 B7R1.2 CC1COC(C)O1 HMDB0032230 [1,0,0,1,0,0|0,0,2]=4 149 B7R1.3 O=C1CCCCC1 HMDB0003315 [1,0,0,1,0,0|1,0,0]=3 150 B7R1.3 O=C1CCCCN1 HMDB0011749 [1,0,0,1,0,0|1,0,0]=3 151 B9R1.35 CC(C)C1OCC(C)O1 HMDB0032204 [0,0,0,1,0,1|0,0,2]=4 152 B9R1.35 CC1CNC(C1)C(O)=O HMDB0029435 [0,0,0,1,0,1|2,0,0]=4 153 B9R1.66 C[C@]1(O)CCOC(=O)C1 HMDB0006024 [0,0,0,1,0,1|1,0,0]=3 154 B9R1.36 CC1CC(C)(C)CC1=O HMDB0031197 [0,1,0,1,0,0|1,0,0]=3 155 B5R0.5 CC(=C)C(C)=O HMDB0031530 [0,0,0,0,2,0|0,0,2]=4 156 B5R0.5 CC(=O)C(C)=O HMDB0003407 [0,0,0,0,2,0|1,0,1]=4 157 B5R0.5 CC(C)C(O)=O HMDB0001873 [0,0,0,0,2,0|1,0,0]=3 158 B5R0.5 CC(S)C(O)=O HMDB0031520 [0,0,0,0,2,0|2,0,0]=4 159 B5R0.5 C[C@@H](N)C(O)=O HMDB0001310 [0,0,0,0,2,0|2,0,0]=4 160 B5R0.5 C[C@@H](O)C(O)=O HMDB0001311 [0,0,0,0,2,0|2,0,0]=4 161 B5R0.5 C[C@H](N)C(O)=O HMDB0000161 [0,0,0,0,2,0|2,0,0]=4 162 B5R0.5 C[C@H](O)C(O)=O HMDB0000190 [0,0,0,0,2,0|2,0,0]=4 163 B9R0.55 CC(C)CCCCC(O)=O HMDB0031588 [0,0,0,0,0,2|2,0,0]=4