0 B7R0.6 CC(=C)CCC(C)=O HMDB0031551 [0,0,0,0,0,0|1,0,2]=3 1 B7R0.6 CC(=O)COC(C)=O HMDB0034466 [0,0,0,0,0,0|1,0,1]=2 2 B7R0.6 CC(C)/C=C\C(C)=O HMDB0031550 [0,0,0,0,0,0|1,0,1]=2 3 B7R0.6 CC(C)/C=C\C(O)=O HMDB0031561 [0,0,0,0,0,0|2,0,1]=3 4 B7R0.6 CC(C)CCC(C)=O HMDB0031549 [0,0,0,0,0,0|1,0,0]=1 5 B7R0.6 CC(C)CCC(O)=O HMDB0000689 [0,0,0,0,0,0|2,0,0]=2 6 B7R0.6 CC(C)CNC(C)=O HMDB0034203 [0,0,0,0,0,0|1,0,0]=1 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(=O)OCCN HMDB0038394 [1,0,0,0,0,0|1,0,0]=2 10 B6R0.4 CC(C)/C=C\C=O HMDB0031196 [1,0,0,0,0,0|1,0,1]=3 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(O)=O HMDB0000892 [1,0,0,0,0,0|2,0,0]=3 15 B6R0.4 CCCOC(C)=O HMDB0034237 [1,0,0,0,0,0|0,0,0]=1 16 B6R0.4 CCCSC(C)=O HMDB0033856 [1,0,0,0,0,0|0,1,0]=2 17 B6R0.4 CCOCC(O)=O HMDB0031212 [1,0,0,0,0,0|3,0,0]=4 18 B6R0.4 CCSSC(C)C HMDB0033054 [1,0,0,0,0,0|1,1,1]=4 19 B6R0.4 CSCCC(C)=O HMDB0031316 [1,0,0,0,0,0|2,0,0]=3 20 B6R0.4 CSCCC(C)O HMDB0041476 [1,0,0,0,0,0|3,0,0]=4 21 B6R0.4 CSCCC(O)=O HMDB0001527 [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)COC(C)CO HMDB0032478 [0,1,0,0,0,0|1,0,2]=4 24 B8R0.9 CCC(=O)OCC(C)C HMDB0034239 [0,1,0,0,0,0|0,0,0]=1 25 B8R0.9 CCC(C)COC(C)=O HMDB0034166 [0,1,0,0,0,0|0,0,0]=1 26 B8R0.9 COC(=O)CCC(C)=O HMDB0041602 [0,1,0,0,0,0|2,0,1]=4 27 B8R0.9 COC(=O)CCC(C)C HMDB0036238 [0,1,0,0,0,0|1,0,0]=2 28 B8R0.9 CSC(=O)CCC(C)C HMDB0039468 [0,1,0,0,0,0|1,0,0]=2 29 B8R0.23 CC(C)/C=C(\C)C(O)=O HMDB0039819 [0,1,0,0,0,0|2,0,1]=4 30 B8R0.23 CC(C)CC(=O)C(C)=O HMDB0031593 [0,1,0,0,0,0|1,0,0]=2 31 B8R0.23 CC(C)CC(=O)C(O)=O HMDB0000695 [0,1,0,0,0,0|2,0,0]=3 32 B8R0.23 CC(C)CC(O)C(O)=O HMDB0000665 [0,1,0,0,0,0|2,0,0]=3 33 B8R0.23 CC(C)C[C@@H](O)C(O)=O HMDB0000624 [0,1,0,0,0,0|2,0,0]=3 34 B8R0.23 CC(C)C[C@H](N)C(O)=O HMDB0000687 [0,1,0,0,0,0|2,0,0]=3 35 B8R0.23 CC(C)C[C@H](O)C(O)=O HMDB0000746 [0,1,0,0,0,0|2,0,0]=3 36 B8R0.23 CC(C)OC(=O)C(C)C HMDB0038227 [0,1,0,0,0,0|1,0,2]=4 37 B8R0.23 CC(OC(C)=O)C(C)=O HMDB0033698 [0,1,0,0,0,0|1,0,1]=3 38 B8R1.3 CC1CCC(=O)CC1 HMDB0031540 [0,0,0,1,0,0|1,0,0]=2 39 B8R1.51 CC1(C)OC(=O)C=C1 HMDB0040260 [0,0,0,1,0,0|2,0,1]=4 40 B8R1.51 CC1COC(C)(C)O1 HMDB0037266 [0,0,0,1,0,0|2,0,1]=4 41 B6R0.2 CC(=C)CC(C)=O HMDB0031564 [0,0,0,0,1,0|0,0,2]=3 42 B6R0.2 CC(=C)OC(C)=O HMDB0032351 [0,0,0,0,1,0|0,0,2]=3 43 B6R0.2 CC(=O)CC(C)=O HMDB0031648 [0,0,0,0,1,0|1,0,1]=3 44 B6R0.2 CC(=O)OC(C)=O HMDB0031646 [0,0,0,0,1,0|1,0,1]=3 45 B6R0.2 CC(C)=CC(C)=O HMDB0031563 [0,0,0,0,1,0|0,0,2]=3 46 B6R0.2 CC(C)=CC(O)=O HMDB0000509 [0,0,0,0,1,0|1,0,2]=4 47 B6R0.2 CC(C)CC(O)=O HMDB0000718 [0,0,0,0,1,0|1,0,0]=2 48 B6R0.2 CC(C)OC(C)=O HMDB0031241 [0,0,0,0,1,0|0,0,0]=1 49 B6R0.2 CC(C)SC(C)C HMDB0029579 [0,0,0,0,1,0|1,1,1]=4 50 B6R0.2 CC(N)CC(O)=O HMDB0031654 [0,0,0,0,1,0|2,0,0]=3 51 B6R0.2 CC(S)CC(C)=O HMDB0032376 [0,0,0,0,1,0|1,0,0]=2 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 B5R0.1 CC(=C)CCO HMDB0030126 [2,0,0,0,0,0|2,0,0]=4 63 B5R0.1 CC(=O)CC=C HMDB0031606 [2,0,0,0,0,0|0,0,2]=4 64 B5R0.1 CC(=O)CCS HMDB0041015 [2,0,0,0,0,0|1,0,0]=3 65 B5R0.1 CC(=O)OC=C HMDB0031209 [2,0,0,0,0,0|0,0,2]=4 66 B5R0.1 CC(C)=CC=O HMDB0012157 [2,0,0,0,0,0|0,0,2]=4 67 B5R0.1 CC(C)CC=O HMDB0006478 [2,0,0,0,0,0|0,0,0]=2 68 B5R0.1 CC(C)CCN HMDB0031659 [2,0,0,0,0,0|1,0,1]=4 69 B5R0.1 CC(C)CCS HMDB0033902 [2,0,0,0,0,0|0,1,1]=4 70 B5R0.1 CC(C)OC=O HMDB0040579 [2,0,0,0,0,0|0,0,0]=2 71 B5R0.1 CCCC(C)=O HMDB0034235 [2,0,0,0,0,0|0,0,0]=2 72 B5R0.1 CCCC(C)O HMDB0031599 [2,0,0,0,0,0|0,0,2]=4 73 B5R0.1 CCCC(C)S HMDB0041010 [2,0,0,0,0,0|0,1,1]=4 74 B5R0.1 CCCC(N)=O HMDB0033870 [2,0,0,0,0,0|1,0,0]=3 75 B5R0.1 CCCC(O)=O HMDB0000039 [2,0,0,0,0,0|1,0,0]=3 76 B5R0.1 CCNC(C)=O HMDB0031215 [2,0,0,0,0,0|1,0,0]=3 77 B5R0.1 CCOC(C)=O HMDB0031217 [2,0,0,0,0,0|0,0,0]=2 78 B5R0.1 CCOC(N)=O HMDB0031219 [2,0,0,0,0,0|1,0,0]=3 79 B5R0.1 CCOC(O)=O HMDB0031232 [2,0,0,0,0,0|1,0,0]=3 80 B5R0.1 CCSC(C)=O HMDB0031190 [2,0,0,0,0,0|0,1,0]=3 81 B5R0.1 CSCC(C)=O HMDB0040170 [2,0,0,0,0,0|1,0,0]=3 82 B5R0.1 OC(=O)CCI HMDB0031252 [2,0,0,0,0,0|2,0,0]=4 83 B5R0.1 OC(=O)CCS HMDB0041604 [2,0,0,0,0,0|2,0,0]=4 84 B5R0.2 CC/C=C\C=O HMDB0031601 [2,0,0,0,0,0|1,0,1]=4 85 B5R0.2 CCCCC=O HMDB0031206 [2,0,0,0,0,0|1,0,0]=3 86 B5R0.2 CCCCCC HMDB0029600 [2,0,0,0,0,0|1,0,1]=4 87 B5R0.2 CCCOC=O HMDB0040253 [2,0,0,0,0,0|0,0,0]=2 88 B5R0.2 CCCSSC HMDB0031872 [2,0,0,0,0,0|1,1,0]=4 89 B5R0.2 CCOCCO HMDB0031213 [2,0,0,0,0,0|1,0,1]=4 90 B5R0.2 CSCCC=O HMDB0031857 [2,0,0,0,0,0|2,0,0]=4 91 B7R0.2 CCC(C)CC(O)=O HMDB0033774 [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(=O)CC(C)C HMDB0039843 [1,1,0,0,0,0|2,0,0]=4 94 B7R0.2 CSC(C)CC(C)=O HMDB0032430 [1,1,0,0,0,0|2,0,0]=4 95 B7R0.3 CCC(=O)OCC=C HMDB0029487 [1,1,0,0,0,0|0,0,2]=4 96 B7R0.3 CCCCC(=O)CC HMDB0031482 [1,1,0,0,0,0|1,0,0]=3 97 B7R0.3 CCCCC(=O)OC HMDB0031207 [1,1,0,0,0,0|1,0,0]=3 98 B7R0.3 CCCCC(C)C=O HMDB0040191 [1,1,0,0,0,0|1,0,1]=4 99 B7R0.3 CCCCC(C)CC HMDB0031583 [1,1,0,0,0,0|1,0,1]=4 100 B7R0.3 CCCOC(=O)CC HMDB0030059 [1,1,0,0,0,0|0,0,0]=2 101 B7R0.3 COC(=O)CCSC HMDB0034377 [1,1,0,0,0,0|2,0,0]=4 102 B7R0.4 CC(=O)CCCC=O HMDB0033568 [1,1,0,0,0,0|1,0,1]=4 103 B7R0.4 CC(C)=CCOC=O HMDB0032490 [1,1,0,0,0,0|0,0,1]=3 104 B7R0.4 CC(C)CCOC=O HMDB0034163 [1,1,0,0,0,0|0,0,0]=2 105 B7R0.4 CC/C=C/CC(C)=O HMDB0031487 [1,1,0,0,0,0|1,0,1]=4 106 B7R0.4 CC/C=C\CC(C)O HMDB0041320 [1,1,0,0,0,0|2,0,0]=4 107 B7R0.4 CCC/C=C/C(C)=O HMDB0031486 [1,1,0,0,0,0|1,0,0]=3 108 B7R0.4 CCC/C=C/C(O)=O HMDB0010719 [1,1,0,0,0,0|2,0,0]=4 109 B7R0.4 CCCCCC(O)=O HMDB0000535 [1,1,0,0,0,0|2,0,0]=4 110 B7R0.4 CCCCNC(C)=O HMDB0031651 [1,1,0,0,0,0|1,0,0]=3 111 B7R0.4 CCCCOC(C)=O HMDB0031325 [1,1,0,0,0,0|0,0,0]=2 112 B7R0.4 CCCNCC(C)C HMDB0031244 [1,1,0,0,0,0|1,0,1]=4 113 B7R0.4 CCOCC=C(C)C HMDB0038052 [1,1,0,0,0,0|0,0,2]=4 114 B7R0.4 CSSCCC(C)C HMDB0032408 [1,1,0,0,0,0|1,1,0]=4 115 B7R0.5 CCCC(=O)C(C)=O HMDB0031491 [1,1,0,0,0,0|1,0,0]=3 116 B7R0.5 CCCC(C)C(C)C HMDB0037617 [1,1,0,0,0,0|1,0,1]=4 117 B7R0.5 CCCC(C)C(O)=O HMDB0031580 [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 B7R0.8 COCCC(C)(C)S HMDB0036194 [1,1,0,0,0,0|2,0,0]=4 120 B7R0.9 CC(=O)CC(C)(C)O HMDB0031511 [0,1,0,0,1,0|0,0,0]=2 121 B7R0.9 CC(=O)CC(C)(C)S HMDB0031519 [0,1,0,0,1,0|0,0,0]=2 122 B7R0.9 CC(O)CC(C)(C)S HMDB0032375 [0,1,0,0,1,0|0,0,2]=4 123 B7R0.9 C[As+](C)(C)CC([O-])=O HMDB0033206 [0,1,0,0,1,0|2,0,0]=4 124 B7R0.16 CC(C)C(=O)C(C)=O HMDB0031559 [0,1,0,0,1,0|0,0,1]=3 125 B7R0.16 CC(C)C(=O)C(O)=O HMDB0000019 [0,1,0,0,1,0|1,0,1]=4 126 B7R0.16 CC(C)C(O)C(O)=O HMDB0000407 [0,1,0,0,1,0|1,0,0]=3 127 B7R0.16 CC(C)[C@H](N)C(O)=O HMDB0000883 [0,1,0,0,1,0|1,0,0]=3 128 B7R0.16 C[C@@H](O)[C@H](N)C(O)=O HMDB0000167 [0,1,0,0,1,0|2,0,0]=4 129 B9R0.1 CC(CO)CCCC(C)=C HMDB0037304 [0,1,0,0,0,1|2,0,0]=4 130 B9R0.1 CCC(=O)OCCC(C)C HMDB0034164 [0,1,0,0,0,1|0,0,0]=2 131 B9R0.1 COC(=O)CCCC(C)C HMDB0031596 [0,1,0,0,0,1|1,0,0]=3 132 B9R0.7 CC(C)COC(=O)C(C)C HMDB0040252 [0,1,0,0,0,1|1,0,1]=4 133 B9R0.53 CC(C)CC(=O)OC(C)C HMDB0032046 [0,1,0,0,0,1|1,0,1]=4 134 B9R0.56 CC(=O)OCCC(C)(C)S HMDB0039227 [0,1,0,0,0,1|0,0,0]=2 135 B9R0.23 COC(=O)C(O)CC(C)C HMDB0036231 [0,2,0,0,0,0|1,0,0]=3 136 B9R0.23 CSC(=O)C(C)OC(C)=O HMDB0036204 [0,2,0,0,0,0|1,0,1]=4 137 B9R0.24 CCC(=O)OCC(O)CO HMDB0031639 [0,2,0,0,0,0|1,0,0]=3 138 B9R0.43 CCC(CC)COC(C)=O HMDB0031703 [0,2,0,0,0,0|0,0,0]=2 139 B9R0.48 C/C=C\C(=O)OCC(C)C HMDB0036212 [0,2,0,0,0,0|0,0,0]=2 140 B9R0.48 CCCC(=O)OCC(C)=C HMDB0036236 [0,2,0,0,0,0|0,0,2]=4 141 B9R0.48 CCCC(=O)OCC(C)C HMDB0034161 [0,2,0,0,0,0|0,0,0]=2 142 B9R0.48 CCOC(=O)CCC(C)C HMDB0032272 [0,2,0,0,0,0|1,0,0]=3 143 B7R1.2 CC1CCC(=O)O1 HMDB0033840 [1,0,0,1,0,0|2,0,0]=4 144 B7R1.2 CC1CCC(=O)S1 HMDB0040150 [1,0,0,1,0,0|2,0,0]=4 145 B7R1.2 CC1CN=C(C)N1 HMDB0037787 [1,0,0,1,0,0|2,0,0]=4 146 B7R1.2 CC1COC(C)O1 HMDB0032230 [1,0,0,1,0,0|0,0,2]=4 147 B7R1.3 CC1OCCCS1 HMDB0039826 [1,0,0,1,0,0|0,1,1]=4 148 B7R1.3 O=C1CCC=CO1 HMDB0040145 [1,0,0,1,0,0|0,0,2]=4 149 B7R1.18 CC(=O)C1CCS1 HMDB0040258 [1,0,0,1,0,0|2,0,0]=4 150 B9R1.35 CC(C)C1OC(=O)C=C1 HMDB0041474 [0,0,0,1,0,1|2,0,0]=4 151 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 B9R1.10 CC1(O)CCC(=O)C=C1 HMDB0033629 [0,1,0,1,0,0|1,0,1]=4 154 B9R1.69 CC1CCC(=O)OC1C HMDB0031174 [0,1,0,1,0,0|0,0,0]=2 155 B9R1.36 CC1CC(C)(C)CC1=O HMDB0031197 [0,1,0,1,0,0|1,0,0]=3 156 B5R0.5 CC(=C)C(C)=O HMDB0031530 [0,0,0,0,2,0|0,0,2]=4 157 B5R0.5 CC(=O)C(Br)Br HMDB0040188 [0,0,0,0,2,0|2,0,0]=4 158 B5R0.5 CC(C)C(C)O HMDB0033777 [0,0,0,0,2,0|0,0,2]=4 159 B5R0.5 CC(C)C(C)S HMDB0036180 [0,0,0,0,2,0|0,1,1]=4 160 B5R0.5 CC(O)C(C)=C HMDB0039779 [0,0,0,0,2,0|2,0,0]=4 161 B5R0.5 CC(S)C(C)=O HMDB0031982 [0,0,0,0,2,0|1,0,0]=3 162 B5R0.5 CC(S)C(O)=O HMDB0031520 [0,0,0,0,2,0|2,0,0]=4 163 B9R0.55 CC(C)CC/C=C/C(C)=O HMDB0039461 [0,0,0,0,0,2|1,0,0]=3 164 B9R0.55 CC(C)CCCCC(O)=O HMDB0031588 [0,0,0,0,0,2|2,0,0]=4