0 B7R0.3 CCC(=O)OCC=C HMDB0029487 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.3 CCCCC(=O)CC HMDB0031482 [0,0,0,0,0,0|1,0,0]=1 2 B7R0.3 CCCCC(=O)OC HMDB0031207 [0,0,0,0,0,0|0,0,0]=0 3 B7R0.3 CCCCC(C)CC HMDB0031583 [0,0,0,0,0,0|2,0,1]=3 4 B7R0.3 CCCOC(=O)CC HMDB0030059 [0,0,0,0,0,0|2,0,0]=2 5 B7R0.3 COC(=O)CCC=C HMDB0040328 [0,0,0,0,0,0|0,0,2]=2 6 B7R0.3 COC(=O)CCSC HMDB0034377 [0,0,0,0,0,0|1,0,0]=1 7 B6R0.1 CCCC(=O)CC HMDB0000753 [1,0,0,0,0,0|1,0,0]=2 8 B6R0.1 CCCC(=O)OC HMDB0033890 [1,0,0,0,0,0|0,0,0]=1 9 B6R0.1 CCCC(=O)SC HMDB0031191 [1,0,0,0,0,0|0,1,0]=2 10 B6R0.1 CCCC(O)CC HMDB0031493 [1,0,0,0,0,0|1,0,2]=4 11 B6R0.1 CCOC(=O)CC HMDB0030058 [1,0,0,0,0,0|2,0,0]=3 12 B6R0.1 COC(=O)CSC HMDB0035646 [1,0,0,0,0,0|1,0,0]=2 13 B6R0.1 CSC/C(C)=C/C HMDB0032411 [1,0,0,0,0,0|3,0,0]=4 14 B6R0.4 CC/C=C/C(O)=O HMDB0032459 [1,0,0,0,0,0|0,0,2]=3 15 B6R0.4 CCCCC(C)=O HMDB0005842 [1,0,0,0,0,0|0,0,0]=1 16 B6R0.4 CCCCC(O)=O HMDB0000892 [1,0,0,0,0,0|0,0,0]=1 17 B6R0.4 CCNCC(O)=O HMDB0041945 [1,0,0,0,0,0|1,0,0]=2 18 B6R0.4 CCOCC(O)=O HMDB0031212 [1,0,0,0,0,0|1,0,0]=2 19 B6R0.4 CSCCC(C)=O HMDB0031316 [1,0,0,0,0,0|1,0,0]=2 20 B6R0.4 CSCCC(O)=O HMDB0001527 [1,0,0,0,0,0|1,0,0]=2 21 B6R0.4 NCCCC(O)=O HMDB0000112 [1,0,0,0,0,0|1,0,0]=2 22 B6R0.4 OC(=O)CCC=C HMDB0031602 [1,0,0,0,0,0|0,0,2]=3 23 B6R0.4 OC(=O)CCC=O HMDB0001259 [1,0,0,0,0,0|1,0,1]=3 24 B6R0.4 OC/C=C/C(O)=O HMDB0003381 [1,0,0,0,0,0|1,0,2]=4 25 B6R0.4 OCCCC(O)=O HMDB0000710 [1,0,0,0,0,0|1,0,0]=2 26 B6R0.6 C/C=C\CCCO HMDB0031502 [1,0,0,0,0,0|2,0,0]=3 27 B6R0.6 CC/C=C\CCO HMDB0030003 [1,0,0,0,0,0|2,0,1]=4 28 B6R0.6 CCC/C=C/CO HMDB0030952 [1,0,0,0,0,0|2,0,1]=4 29 B6R0.6 CCCC=CC=O HMDB0031496 [1,0,0,0,0,0|2,0,1]=4 30 B6R0.6 CCCCCC=O HMDB0005994 [1,0,0,0,0,0|2,0,1]=4 31 B6R0.6 CCCCCCC HMDB0031447 [1,0,0,0,0,0|1,0,1]=3 32 B6R0.6 CCCCCCN HMDB0032323 [1,0,0,0,0,0|2,0,1]=4 33 B6R0.6 CCCCCCO HMDB0012971 [1,0,0,0,0,0|2,0,1]=4 34 B6R0.6 CCCCCSS HMDB0031160 [1,0,0,0,0,0|1,1,1]=4 35 B6R0.6 CCCCN=C=S HMDB0031328 [1,0,0,0,0,0|3,0,0]=4 36 B6R0.6 CCCCON=O HMDB0031329 [1,0,0,0,0,0|3,0,0]=4 37 B6R0.6 CCCSCCC HMDB0031431 [1,0,0,0,0,0|2,0,1]=4 38 B6R0.6 CCCSSSC HMDB0031871 [1,0,0,0,0,0|2,1,0]=4 39 B6R0.6 CNCCCCN HMDB0003661 [1,0,0,0,0,0|2,0,1]=4 40 B8R0.1 CCCC(=O)OCSC HMDB0038299 [0,1,0,0,0,0|3,0,0]=4 41 B8R0.1 CCCCC(=O)/C=C\C HMDB0031301 [0,1,0,0,0,0|1,0,0]=2 42 B8R0.1 CCCCC(=O)OCC HMDB0040297 [0,1,0,0,0,0|0,0,0]=1 43 B8R0.1 CCCCC(O)/C=C/C HMDB0031300 [0,1,0,0,0,0|1,0,2]=4 44 B8R0.1 CCCOC(=O)CCC HMDB0039618 [0,1,0,0,0,0|2,0,0]=3 45 B8R0.1 CCOC(=O)CCC=C HMDB0031603 [0,1,0,0,0,0|0,0,2]=3 46 B8R0.1 CCOC(=O)CCSC HMDB0040413 [0,1,0,0,0,0|1,0,0]=2 47 B8R0.3 CCCC(=O)C(=O)CC HMDB0031477 [0,1,0,0,0,0|1,0,1]=3 48 B8R0.3 CCCC(C)C(=O)OC HMDB0036237 [0,1,0,0,0,0|0,0,0]=1 49 B8R0.3 CCCC(C)C(C)CC HMDB0031416 [0,1,0,0,0,0|2,0,1]=4 50 B8R0.6 CC/C=C/CC(=O)C=C HMDB0032447 [0,1,0,0,0,0|1,0,2]=4 51 B8R0.6 CC/C=C\CC(=O)OC HMDB0031504 [0,1,0,0,0,0|0,0,1]=2 52 B8R0.6 CCC/C=C/C(=O)CC HMDB0032451 [0,1,0,0,0,0|1,0,1]=3 53 B8R0.6 CCC/C=C/C(=O)OC HMDB0031500 [0,1,0,0,0,0|0,0,1]=2 54 B8R0.6 CCCCCC(=O)C=C HMDB0031309 [0,1,0,0,0,0|1,0,1]=3 55 B8R0.6 CCCCCC(=O)CC HMDB0031295 [0,1,0,0,0,0|1,0,0]=2 56 B8R0.6 CCCCCC(O)CC HMDB0030070 [0,1,0,0,0,0|1,0,2]=4 57 B8R0.6 CCCCOC(=O)CC HMDB0030052 [0,1,0,0,0,0|1,0,0]=2 58 B8R0.6 COC(=O)/C=C/C=C/C HMDB0029582 [0,1,0,0,0,0|0,0,3]=4 59 B8R0.6 COC(=O)CCCSC HMDB0037619 [0,1,0,0,0,0|0,0,0]=1 60 B8R0.8 CC(O)C(=O)NCCO HMDB0032356 [0,1,0,0,0,0|3,0,0]=4 61 B8R0.8 CCC/C=C(\C)C(C)=O HMDB0031590 [0,1,0,0,0,0|2,0,1]=4 62 B8R0.8 CCCCC(=O)C(C)=O HMDB0031476 [0,1,0,0,0,0|1,0,0]=2 63 B8R0.8 CCCCC(=O)C(C)C HMDB0032402 [0,1,0,0,0,0|1,0,0]=2 64 B8R0.8 CCCCC(=O)C(O)=O HMDB0001864 [0,1,0,0,0,0|2,0,0]=3 65 B8R0.8 CCCOC(=O)C(C)S HMDB0032495 [0,1,0,0,0,0|2,0,0]=3 66 B8R0.8 CSCCC(=O)C(O)=O HMDB0001553 [0,1,0,0,0,0|3,0,0]=4 67 B8R0.8 NCCCC(=O)C(O)=O HMDB0006272 [0,1,0,0,0,0|3,0,0]=4 68 B8R0.9 C/C=C(/C)CCC(C)=O HMDB0031591 [0,1,0,0,0,0|2,0,1]=4 69 B8R0.9 COC(=O)CCC(C)C HMDB0036238 [0,1,0,0,0,0|0,0,0]=1 70 B8R0.11 CCCCC(CC)CO HMDB0031231 [0,1,0,0,0,0|1,0,2]=4 71 B8R0.19 COC(=O)CC(C)SC HMDB0032410 [0,1,0,0,0,0|1,0,0]=2 72 B8R1.1 CCC1CCC(=O)O1 HMDB0003843 [0,0,0,1,0,0|2,0,0]=3 73 B8R1.3 CC1CCC(=O)CC1 HMDB0031540 [0,0,0,1,0,0|1,0,0]=2 74 B8R1.5 CC1CCCCC1=O HMDB0031539 [0,0,0,1,0,0|1,0,0]=2 75 B8R1.5 NC1CCCNC1=O HMDB0000323 [0,0,0,1,0,0|3,0,0]=4 76 B8R1.5 O=C1CCCCC1=O HMDB0031344 [0,0,0,1,0,0|2,0,0]=3 77 B8R1.50 CC1CCC(=O)C1=O HMDB0031543 [0,0,0,1,0,0|2,0,0]=3 78 B5R0.1 C/C=C/C(C)=O HMDB0001184 [2,0,0,0,0,0|0,0,2]=4 79 B5R0.1 C/C=C/C(O)=O HMDB0010720 [2,0,0,0,0,0|0,0,2]=4 80 B5R0.1 C/C=C\C(O)=O HMDB0034439 [2,0,0,0,0,0|0,0,2]=4 81 B5R0.1 CC(=C)CCO HMDB0030126 [2,0,0,0,0,0|2,0,0]=4 82 B5R0.1 CC(=O)CC=C HMDB0031606 [2,0,0,0,0,0|0,0,2]=4 83 B5R0.1 CCCC(O)=O HMDB0000039 [2,0,0,0,0,0|0,0,0]=2 84 B5R0.1 CCNC(C)=O HMDB0031215 [2,0,0,0,0,0|1,0,0]=3 85 B5R0.1 CCOC(C)=O HMDB0031217 [2,0,0,0,0,0|1,0,0]=3 86 B5R0.1 CCOC(N)=O HMDB0031219 [2,0,0,0,0,0|2,0,0]=4 87 B5R0.1 CCOC(O)=O HMDB0031232 [2,0,0,0,0,0|1,0,0]=3 88 B5R0.1 CCSC(C)=O HMDB0031190 [2,0,0,0,0,0|1,0,0]=3 89 B5R0.1 CNCC(O)=O HMDB0000271 [2,0,0,0,0,0|1,0,0]=3 90 B5R0.1 COCC(O)=O HMDB0041929 [2,0,0,0,0,0|1,0,0]=3 91 B5R0.1 NCCC(O)=O HMDB0000056 [2,0,0,0,0,0|1,0,0]=3 92 B5R0.1 NCCS(O)=O HMDB0000965 [2,0,0,0,0,0|2,0,0]=4 93 B5R0.1 OC(=O)CC=O HMDB0011111 [2,0,0,0,0,0|1,0,1]=4 94 B5R0.1 OC(=O)CCI HMDB0031252 [2,0,0,0,0,0|1,0,0]=3 95 B5R0.1 OCCC(O)=O HMDB0000700 [2,0,0,0,0,0|1,0,0]=3 96 B5R0.2 C=CCCC=O HMDB0032458 [2,0,0,0,0,0|0,0,2]=4 97 B5R0.2 CC/C=C\C=O HMDB0031601 [2,0,0,0,0,0|0,0,2]=4 98 B5R0.2 CCCCC=O HMDB0031206 [2,0,0,0,0,0|0,0,0]=2 99 B5R0.2 CCCCCC HMDB0029600 [2,0,0,0,0,0|0,0,1]=3 100 B5R0.2 CCCCCO HMDB0013036 [2,0,0,0,0,0|0,0,1]=3 101 B5R0.2 CCCCCS HMDB0032457 [2,0,0,0,0,0|0,1,1]=4 102 B5R0.2 CCCSSC HMDB0031872 [2,0,0,0,0,0|1,1,0]=4 103 B5R0.2 CCOCCO HMDB0031213 [2,0,0,0,0,0|1,0,1]=4 104 B5R0.2 CSCCC=O HMDB0031857 [2,0,0,0,0,0|1,0,0]=3 105 B5R0.2 CSCCCO HMDB0031716 [2,0,0,0,0,0|1,0,1]=4 106 B5R0.2 CSCCSC HMDB0031708 [2,0,0,0,0,0|1,1,0]=4 107 B5R0.2 NCCCC=O HMDB0001080 [2,0,0,0,0,0|1,0,0]=3 108 B5R0.3 CCC(=O)C=C HMDB0031607 [2,0,0,0,0,0|1,0,1]=4 109 B5R0.3 CCC(=O)CO HMDB0031507 [2,0,0,0,0,0|2,0,0]=4 110 B5R0.3 CCC(=O)OC HMDB0030062 [2,0,0,0,0,0|0,0,0]=2 111 B5R0.3 CCC(=O)SC HMDB0031192 [2,0,0,0,0,0|0,1,0]=3 112 B5R0.3 CNC(=O)NC HMDB0029198 [2,0,0,0,0,0|2,0,0]=4 113 B5R0.3 COC(=O)OC HMDB0029580 [2,0,0,0,0,0|1,0,0]=3 114 B7R0.2 CCC(=O)CC(C)C HMDB0005841 [1,1,0,0,0,0|1,0,0]=3 115 B7R0.2 CCC(=O)OC(C)C HMDB0030056 [1,1,0,0,0,0|2,0,0]=4 116 B7R0.2 COC(=O)CC(C)=O HMDB0000310 [1,1,0,0,0,0|0,0,1]=3 117 B7R0.2 COC(=O)CC(C)C HMDB0030027 [1,1,0,0,0,0|0,0,0]=2 118 B7R0.2 COC(=O)CC(C)O HMDB0041603 [1,1,0,0,0,0|0,0,0]=2 119 B7R0.2 COC(=O)CC(C)S HMDB0032409 [1,1,0,0,0,0|0,0,0]=2 120 B7R0.5 CCCC(=O)C(C)=O HMDB0031491 [1,1,0,0,0,0|1,0,0]=3 121 B7R0.5 CCCC(=O)C(O)=O HMDB0001865 [1,1,0,0,0,0|2,0,0]=4 122 B7R0.5 CCOC(=O)C(C)C HMDB0031248 [1,1,0,0,0,0|2,0,0]=4 123 B7R0.5 CCOC(=O)C(C)S HMDB0031521 [1,1,0,0,0,0|2,0,0]=4 124 B7R0.7 CCCC(=O)/C=C/C HMDB0031488 [1,1,0,0,0,0|1,0,0]=3 125 B7R0.7 CCCC(=O)CCC HMDB0004814 [1,1,0,0,0,0|1,0,0]=3 126 B7R0.7 CCCC(=O)OCC HMDB0033889 [1,1,0,0,0,0|0,0,0]=2 127 B7R0.7 CCOC(=O)/C=C\C HMDB0039581 [1,1,0,0,0,0|0,0,2]=4 128 B7R0.7 CCOC(=O)CSC HMDB0040263 [1,1,0,0,0,0|1,0,0]=3 129 B7R0.10 CCC(=O)C(=O)CC HMDB0031492 [1,1,0,0,0,0|1,0,1]=4 130 B7R0.10 CCC(C)C(=O)OC HMDB0029762 [1,1,0,0,0,0|0,0,0]=2 131 B7R0.12 CSC/C(=C/C)C=O HMDB0031370 [1,1,0,0,0,0|2,0,0]=4 132 B7R0.4 CC(=O)NCCC=O HMDB0012880 [1,1,0,0,0,0|1,0,1]=4 133 B7R0.4 CC(O)CCCCO HMDB0031490 [1,1,0,0,0,0|0,0,2]=4 134 B7R0.4 CCC/C=C/C(C)=O HMDB0031486 [1,1,0,0,0,0|0,0,1]=3 135 B7R0.4 CCC/C=C/C(O)=O HMDB0010719 [1,1,0,0,0,0|0,0,1]=3 136 B7R0.4 CCCCCC(C)=O HMDB0003671 [1,1,0,0,0,0|0,0,0]=2 137 B7R0.4 CCCCCC(C)O HMDB0033908 [1,1,0,0,0,0|0,0,2]=4 138 B7R0.4 CCCCCC(C)S HMDB0032303 [1,1,0,0,0,0|0,1,1]=4 139 B7R0.4 CCCCCC(O)=O HMDB0000535 [1,1,0,0,0,0|0,0,0]=2 140 B7R0.4 CCCCNC(C)=O HMDB0031651 [1,1,0,0,0,0|0,0,0]=2 141 B7R0.4 CCCCOC(C)=O HMDB0031325 [1,1,0,0,0,0|0,0,0]=2 142 B7R0.4 CCCNCC(C)C HMDB0031244 [1,1,0,0,0,0|1,0,1]=4 143 B7R0.4 NCCCCC(N)=O HMDB0012176 [1,1,0,0,0,0|1,0,0]=3 144 B7R0.4 NCCCCC(O)=O HMDB0003355 [1,1,0,0,0,0|0,0,0]=2 145 B7R0.4 OC(=O)CCCC=O HMDB0012233 [1,1,0,0,0,0|0,0,1]=3 146 B7R0.6 CC(=C)CCC(C)=O HMDB0031551 [1,1,0,0,0,0|0,0,1]=3 147 B7R0.6 CC(=O)CCC(O)=O HMDB0000720 [1,1,0,0,0,0|0,0,1]=3 148 B7R0.6 CC(=O)NCC(O)=O HMDB0000532 [1,1,0,0,0,0|1,0,1]=4 149 B7R0.6 CC(C)/C=C\C(C)=O HMDB0031550 [1,1,0,0,0,0|0,0,2]=4 150 B7R0.6 CC(C)/C=C\C(O)=O HMDB0031561 [1,1,0,0,0,0|0,0,2]=4 151 B7R0.6 CC(C)CCC(C)=O HMDB0031549 [1,1,0,0,0,0|0,0,0]=2 152 B7R0.6 CC(C)CCC(O)=O HMDB0000689 [1,1,0,0,0,0|0,0,0]=2 153 B7R0.6 CC(C)COC(C)=O HMDB0031246 [1,1,0,0,0,0|1,0,0]=3 154 B7R0.6 OC(=O)CCC(O)=O HMDB0000254 [1,1,0,0,0,0|1,0,1]=4 155 B7R0.1 CC/C=C\CCCO HMDB0031405 [1,1,0,0,0,0|1,0,1]=4 156 B7R0.1 CCCCCCCC HMDB0001485 [1,1,0,0,0,0|1,0,1]=4 157 B7R0.1 CCCCCCCO HMDB0031479 [1,1,0,0,0,0|1,0,1]=4 158 B7R0.1 CCCCCCCS HMDB0032304 [1,1,0,0,0,0|1,0,1]=4 159 B7R0.1 CCCCCCOC HMDB0032407 [1,1,0,0,0,0|0,0,1]=3 160 B7R0.1 CCCCCSSC HMDB0031161 [1,1,0,0,0,0|0,1,1]=4 161 B7R0.1 CCCCOCCO HMDB0031327 [1,1,0,0,0,0|2,0,0]=4 162 B7R0.1 CCCCSSCC HMDB0032180 [1,1,0,0,0,0|1,1,0]=4 163 B9R0.4 CCCOC(=O)CC(C)C HMDB0032047 [0,2,0,0,0,0|2,0,0]=4 164 B9R0.5 CCC/C=C/C(=O)OCC HMDB0032268 [0,2,0,0,0,0|0,0,1]=3 165 B9R0.5 CCCCCC(=O)CCC HMDB0031268 [0,2,0,0,0,0|1,0,0]=3 166 B9R0.5 CCCCCC(=O)CCO HMDB0031290 [0,2,0,0,0,0|1,0,0]=3 167 B9R0.5 CCCCCC(=O)OCC HMDB0040209 [0,2,0,0,0,0|0,0,0]=2 168 B9R0.5 CCCCOC(=O)CCC HMDB0039620 [0,2,0,0,0,0|1,0,0]=3 169 B9R0.5 CCOC(=O)C/C=C\CC HMDB0032266 [0,2,0,0,0,0|0,0,1]=3 170 B9R0.5 CCOC(=O)CCCC=C HMDB0032267 [0,2,0,0,0,0|0,0,1]=3 171 B9R0.5 CCOC(=O)CCCSC HMDB0037620 [0,2,0,0,0,0|0,0,0]=2 172 B9R0.18 CCCCC(=O)OCC=C HMDB0032164 [0,2,0,0,0,0|0,0,0]=2 173 B9R0.18 CCCCC(=O)OCCC HMDB0040296 [0,2,0,0,0,0|0,0,0]=2 174 B9R0.18 CCCC[C@H](S)CCOC HMDB0032380 [0,2,0,0,0,0|0,1,1]=4 175 B9R0.34 CCOC(=O)CC(C)CC HMDB0034234 [0,2,0,0,0,0|0,0,0]=2 176 B9R0.35 CCCC(C)C(=O)OCC HMDB0031579 [0,2,0,0,0,0|0,0,0]=2 177 B9R0.35 CCOC(=O)C(/C)=C/CC HMDB0032278 [0,2,0,0,0,0|0,0,2]=4 178 B9R0.35 CCOC(=O)C(C)/C=C\C HMDB0037622 [0,2,0,0,0,0|0,0,2]=4 179 B9R0.35 CCOC(=O)C(C)CC=C HMDB0029761 [0,2,0,0,0,0|0,0,2]=4 180 B9R0.40 CCCCC(CC=O)SC HMDB0032426 [0,2,0,0,0,0|0,1,1]=4 181 B9R0.48 C/C=C\C(=O)OCC(C)C HMDB0036212 [0,2,0,0,0,0|2,0,0]=4 182 B9R0.48 CCCC(=O)OCC(C)C HMDB0034161 [0,2,0,0,0,0|2,0,0]=4 183 B9R0.48 CCOC(=O)CCC(C)C HMDB0032272 [0,2,0,0,0,0|0,0,0]=2 184 B9R0.23 COC(=O)C(O)CC(C)C HMDB0036231 [0,2,0,0,0,0|0,0,0]=2 185 B9R0.27 CCC(C)C(=O)C(=O)OC HMDB0037114 [0,2,0,0,0,0|0,0,1]=3 186 B9R0.1 COC(=O)CCCC(C)C HMDB0031596 [0,2,0,0,0,0|0,0,0]=2 187 B9R0.1 COC(=O)CCCC(O)=O HMDB0000858 [0,2,0,0,0,0|0,0,1]=3 188 B9R0.24 CCC(=O)OCC(O)CO HMDB0031639 [0,2,0,0,0,0|2,0,0]=4 189 B9R0.46 CCCC/C=C/C(=O)OC HMDB0039872 [0,2,0,0,0,0|0,0,0]=2 190 B9R0.46 CCCCCCC(=O)CC HMDB0031267 [0,2,0,0,0,0|1,0,0]=3 191 B9R0.46 CCCCCCC(=O)OC HMDB0031478 [0,2,0,0,0,0|0,0,0]=2 192 B9R0.46 CCCCCOC(=O)CC HMDB0031638 [0,2,0,0,0,0|1,0,0]=3 193 B9R0.47 CCCCCC(=O)C(C)=O HMDB0031293 [0,2,0,0,0,0|1,0,0]=3 194 B9R0.47 NCCCCC(=O)C(O)=O HMDB0012151 [0,2,0,0,0,0|2,0,0]=4 195 B9R0.13 CCCCC(CC)C(O)=O HMDB0031230 [0,2,0,0,0,0|1,0,1]=4 196 B7R1.2 CC1COC(=O)C1 HMDB0002167 [1,0,0,1,0,0|0,0,0]=2 197 B7R1.3 O=C1CCCCC1 HMDB0003315 [1,0,0,1,0,0|1,0,0]=3 198 B7R1.3 O=C1CCCCN1 HMDB0011749 [1,0,0,1,0,0|1,0,0]=3 199 B7R1.4 CC1=CCCC1=O HMDB0031545 [1,0,0,1,0,0|1,0,1]=4 200 B7R1.18 OC(=O)C1CCN1 HMDB0029615 [1,0,0,1,0,0|1,0,0]=3 201 B9R1.7 CCOC1CCC(=O)O1 HMDB0031214 [0,1,0,1,0,0|2,0,0]=4 202 B9R1.3 CC1=C(C)C(=O)CCC1 HMDB0031414 [0,1,0,1,0,0|1,0,0]=3 203 B9R1.37 CC1CC(=O)C(=O)C1C HMDB0037026 [0,1,0,1,0,0|1,0,1]=4 204 B9R1.132 CCC1=C(O)C(=O)CC1 HMDB0031223 [0,1,0,1,0,0|2,0,0]=4 205 B9R1.132 CCC1CCC(=O)C1=O HMDB0031222 [0,1,0,1,0,0|1,0,1]=4 206 B9R1.6 CC(=O)C1=NCCCC1 HMDB0030345 [0,1,0,1,0,0|2,0,0]=4