0 B8R0.5 CCCC(=O)CC(O)=O HMDB0010717 [0,0,0,0,0,0|2,0,0]=2 1 B8R0.5 CCCC(=O)OC(C)C HMDB0039619 [0,0,0,0,0,0|3,0,1]=4 2 B8R0.5 CCCC(C)OC(C)=O HMDB0031600 [0,0,0,0,0,0|3,0,1]=4 3 B8R0.5 CCOC(=O)CC(C)=O HMDB0031216 [0,0,0,0,0,0|0,0,0]=0 4 B8R0.5 CCOC(=O)CC(C)=O HMDB0031218 [0,0,0,0,0,0|0,0,0]=0 5 B8R0.5 CCOC(=O)CC(C)C HMDB0030028 [0,0,0,0,0,0|1,0,1]=2 6 B8R0.5 CCOC(=O)CC(C)S HMDB0032271 [0,0,0,0,0,0|0,1,1]=2 7 B8R0.5 CCOC(=O)CC(O)=O HMDB0000576 [0,0,0,0,0,0|1,0,0]=1 8 B8R0.5 CCOC(C)OC(C)=O HMDB0032158 [0,0,0,0,0,0|2,0,1]=3 9 B8R0.5 [C@@H](O)(CCC)CC(O)=O HMDB0010718 [0,0,0,0,0,0|2,0,2]=4 10 B7R0.2 CCC(=O)CC(C)C HMDB0005841 [1,0,0,0,0,0|1,0,1]=3 11 B7R0.2 CCC(=O)OC(C)C HMDB0030056 [1,0,0,0,0,0|2,0,1]=4 12 B7R0.2 CCC(C)CC(O)=O HMDB0033774 [1,0,0,0,0,0|2,0,1]=4 13 B7R0.2 CCC(O)CC(O)=O HMDB0000531 [1,0,0,0,0,0|1,0,2]=4 14 B7R0.2 COC(=O)CC(C)=O HMDB0000310 [1,0,0,0,0,0|0,0,0]=1 15 B7R0.2 COC(=O)CC(C)C HMDB0030027 [1,0,0,0,0,0|1,0,1]=3 16 B7R0.2 COC(=O)CC(C)O HMDB0041603 [1,0,0,0,0,0|0,0,2]=3 17 B7R0.2 COC(=O)CC(C)S HMDB0032409 [1,0,0,0,0,0|0,1,1]=3 18 B7R0.2 CSC(C)CC(C)=O HMDB0032430 [1,0,0,0,0,0|1,1,1]=4 19 B7R0.4 CC/C=C\CC(C)O HMDB0041320 [1,0,0,0,0,0|1,0,2]=4 20 B7R0.4 CCC/C=C/C(C)=O HMDB0031486 [1,0,0,0,0,0|1,0,1]=3 21 B7R0.4 CCC/C=C/C(O)=O HMDB0010719 [1,0,0,0,0,0|2,0,1]=4 22 B7R0.4 CCCCCC(C)=O HMDB0003671 [1,0,0,0,0,0|1,0,1]=3 23 B7R0.4 CCCCCC(O)=O HMDB0000535 [1,0,0,0,0,0|2,0,1]=4 24 B7R0.4 CCCCNC(C)=O HMDB0031651 [1,0,0,0,0,0|2,0,1]=4 25 B7R0.4 CCCCOC(C)=O HMDB0031325 [1,0,0,0,0,0|2,0,1]=4 26 B7R0.7 CCCC(=O)/C=C/C HMDB0031488 [1,0,0,0,0,0|1,0,1]=3 27 B7R0.7 CCCC(=O)CCC HMDB0004814 [1,0,0,0,0,0|1,0,1]=3 28 B7R0.7 CCCC(=O)OCC HMDB0033889 [1,0,0,0,0,0|0,0,1]=2 29 B7R0.7 CCCC(C)CC=O HMDB0032405 [1,0,0,0,0,0|2,0,1]=4 30 B7R0.7 CCOC(=O)/C=C\C HMDB0039581 [1,0,0,0,0,0|0,0,1]=2 31 B7R0.7 CCOC(=O)CSC HMDB0040263 [1,0,0,0,0,0|1,0,0]=2 32 B9R0.4 CCCOC(=O)CC(C)C HMDB0032047 [0,1,0,0,0,0|1,0,1]=3 33 B9R0.6 CCCC(=C)C(N)C(O)=O HMDB0030410 [0,1,0,0,0,0|3,0,0]=4 34 B9R0.34 CCOC(=O)CC(C)CC HMDB0034234 [0,1,0,0,0,0|1,0,1]=3 35 B9R0.53 CC(C)CC(=O)CC(C)C HMDB0013821 [0,1,0,0,0,0|2,0,1]=4 36 B9R0.53 CC(C)CC(=O)CC(C)C HMDB0031417 [0,1,0,0,0,0|2,0,1]=4 37 B9R0.53 CC(C)CC(=O)OC(C)C HMDB0032046 [0,1,0,0,0,0|1,0,1]=3 38 B9R0.53 CC(C)SC(=O)C=C(C)C HMDB0032354 [0,1,0,0,0,0|1,1,1]=4 39 B9R0.53 C[C@H](N)CC(=O)CC(O)=O HMDB0012131 [0,1,0,0,0,0|2,0,0]=3 40 B9R1.7 CCOC1CCC(=O)O1 HMDB0031214 [0,0,0,1,0,0|2,0,1]=4 41 B9R1.41 NC(=O)N1CCCC1=O HMDB0029874 [0,0,0,1,0,0|3,0,0]=4 42 B9R1.66 C[C@]1(O)CCOC(=O)C1 HMDB0006024 [0,0,0,1,0,0|0,0,2]=3 43 B7R0.5 CC/C=C(/C)C(O)=O HMDB0031560 [0,0,0,0,1,0|3,0,0]=4 44 B7R0.5 CCCC(=O)C(C)=O HMDB0031491 [0,0,0,0,1,0|1,0,0]=2 45 B7R0.5 CCCC(=O)C(O)=O HMDB0001865 [0,0,0,0,1,0|2,0,0]=3 46 B7R0.5 CCOC(=O)C(C)C HMDB0031248 [0,0,0,0,1,0|1,0,1]=3 47 B7R0.5 CCOC(=O)C(C)S HMDB0031521 [0,0,0,0,1,0|0,1,1]=3 48 B7R0.5 CCOC(=O)C(O)=C HMDB0031643 [0,0,0,0,1,0|0,0,2]=3 49 B7R0.5 OCCC(=O)C(O)=O HMDB0031204 [0,0,0,0,1,0|3,0,0]=4 50 B9R0.48 CCCC(=O)NCC(O)=O HMDB0000808 [0,0,0,0,0,1|2,0,0]=3 51 B9R0.48 CCCC(=O)OCC(C)=C HMDB0036236 [0,0,0,0,0,1|2,0,0]=3 52 B9R0.48 CCCC(=O)OCC(C)C HMDB0034161 [0,0,0,0,0,1|2,0,1]=4 53 B9R0.48 CCOC(=O)/C=C\C(O)=O HMDB0040207 [0,0,0,0,0,1|1,0,1]=3 54 B9R0.48 CCOC(=O)CCC(C)C HMDB0032272 [0,0,0,0,0,1|1,0,1]=3 55 B6R0.1 CC/C=C(/C)C=O HMDB0033714 [2,0,0,0,0,0|2,0,0]=4 56 B6R0.1 CCCC(=O)CC HMDB0000753 [2,0,0,0,0,0|0,0,1]=3 57 B6R0.1 CCCC(=O)OC HMDB0033890 [2,0,0,0,0,0|0,0,1]=3 58 B6R0.1 CCCC(=O)SC HMDB0031191 [2,0,0,0,0,0|0,1,1]=4 59 B6R0.1 CCOC(=O)CC HMDB0030058 [2,0,0,0,0,0|0,0,0]=2 60 B6R0.1 CCOC(C)CC HMDB0031326 [2,0,0,0,0,0|1,0,1]=4 61 B6R0.1 COC(=O)CSC HMDB0035646 [2,0,0,0,0,0|1,0,0]=3 62 B6R0.2 CC(=C)CC(C)=O HMDB0031564 [2,0,0,0,0,0|1,0,0]=3 63 B6R0.2 CC(=C)OC(C)=O HMDB0032351 [2,0,0,0,0,0|2,0,0]=4 64 B6R0.2 CC(=O)CC(C)=O HMDB0031648 [2,0,0,0,0,0|0,0,0]=2 65 B6R0.2 CC(=O)CC(O)=O HMDB0000060 [2,0,0,0,0,0|0,0,0]=2 66 B6R0.2 CC(=O)OC(C)=O HMDB0031646 [2,0,0,0,0,0|1,0,0]=3 67 B6R0.2 CC(C)=CC(C)=O HMDB0031563 [2,0,0,0,0,0|1,0,1]=4 68 B6R0.2 CC(C)=CC(O)=O HMDB0000509 [2,0,0,0,0,0|1,0,1]=4 69 B6R0.2 CC(C)CC(C)=O HMDB0002939 [2,0,0,0,0,0|1,0,1]=4 70 B6R0.2 CC(C)CC(O)=O HMDB0000718 [2,0,0,0,0,0|1,0,1]=4 71 B6R0.2 CC(N)CC(O)=O HMDB0031654 [2,0,0,0,0,0|1,0,1]=4 72 B6R0.2 CC(O)CC(O)=O HMDB0000357 [2,0,0,0,0,0|0,0,2]=4 73 B6R0.2 CC(S)CC(C)=O HMDB0032376 [2,0,0,0,0,0|0,1,1]=4 74 B6R0.2 CN(C)CC(O)=O HMDB0000092 [2,0,0,0,0,0|2,0,0]=4 75 B6R0.2 C[C@@H](O)CC(O)=O HMDB0000011 [2,0,0,0,0,0|0,0,2]=4 76 B6R0.2 C[C@H](O)CC(O)=O HMDB0000442 [2,0,0,0,0,0|0,0,2]=4 77 B6R0.2 OC(=O)CC(O)=O HMDB0000691 [2,0,0,0,0,0|1,0,0]=3 78 B6R0.4 CC/C=C/C(O)=O HMDB0032459 [2,0,0,0,0,0|1,0,1]=4 79 B6R0.4 CCCCC(C)=O HMDB0005842 [2,0,0,0,0,0|0,0,1]=3 80 B6R0.4 CCCCC(O)=O HMDB0000892 [2,0,0,0,0,0|1,0,1]=4 81 B6R0.4 CCNCC(O)=O HMDB0041945 [2,0,0,0,0,0|2,0,0]=4 82 B6R0.4 CCOCC(O)=O HMDB0031212 [2,0,0,0,0,0|1,0,0]=3 83 B6R0.4 CSCCC(C)=O HMDB0031316 [2,0,0,0,0,0|0,1,1]=4 84 B6R0.6 CC/C=C\CC=O HMDB0031498 [2,0,0,0,0,0|1,0,0]=3 85 B6R0.6 CCC=CCC=O HMDB0031497 [2,0,0,0,0,0|1,0,0]=3 86 B6R0.6 CCCC=CC=O HMDB0031496 [2,0,0,0,0,0|1,0,1]=4 87 B6R0.6 CCCCCC=O HMDB0005994 [2,0,0,0,0,0|1,0,1]=4 88 B8R0.2 CCC(=O)C(C)C(O)=O HMDB0000408 [1,1,0,0,0,0|1,0,0]=3 89 B8R0.16 COC(CC(C)=O)OC HMDB0033851 [1,1,0,0,0,0|0,0,2]=4 90 B8R0.19 COC(=O)CC(C)SC HMDB0032410 [1,1,0,0,0,0|0,1,1]=4 91 B8R0.6 CC/C=C/CC(=O)C=C HMDB0032447 [1,1,0,0,0,0|1,0,1]=4 92 B8R0.6 CC/C=C\CC(=O)OC HMDB0031504 [1,1,0,0,0,0|1,0,0]=3 93 B8R0.6 CCC/C=C/C(=O)CC HMDB0032451 [1,1,0,0,0,0|1,0,1]=4 94 B8R0.6 CCC/C=C/C(=O)OC HMDB0031500 [1,1,0,0,0,0|1,0,1]=4 95 B8R0.6 CCCCCC(=O)CC HMDB0031295 [1,1,0,0,0,0|1,0,1]=4 96 B8R0.7 CC/C=C/C=C/C(C)=O HMDB0032446 [1,1,0,0,0,0|1,0,1]=4 97 B8R0.7 CC/C=C\CCC(O)=O HMDB0033793 [1,1,0,0,0,0|2,0,0]=4 98 B8R0.7 CCCCCCC(C)=O HMDB0031294 [1,1,0,0,0,0|1,0,1]=4 99 B8R0.8 CCC/C=C(\C)C(C)=O HMDB0031590 [1,1,0,0,0,0|1,0,1]=4 100 B8R0.28 CC(C)C/C=C/C(C)=O HMDB0032403 [1,1,0,0,0,0|1,0,1]=4 101 B8R0.1 C/C=C\C(=O)OCC=C HMDB0032067 [1,1,0,0,0,0|0,0,2]=4 102 B8R0.1 CCCC(=O)OCC=C HMDB0040591 [1,1,0,0,0,0|0,0,2]=4 103 B8R0.1 CCCC(=O)OCSC HMDB0038299 [1,1,0,0,0,0|0,0,1]=3 104 B8R0.1 CCCCC(=O)/C=C\C HMDB0031301 [1,1,0,0,0,0|1,0,1]=4 105 B8R0.1 CCCCC(=O)OCC HMDB0040297 [1,1,0,0,0,0|0,0,1]=3 106 B8R0.1 CCCOC(=O)CCC HMDB0039618 [1,1,0,0,0,0|0,0,1]=3 107 B8R0.1 CCOC(=O)CCC=C HMDB0031603 [1,1,0,0,0,0|0,0,1]=3 108 B8R0.1 CCOC(=O)CCSC HMDB0040413 [1,1,0,0,0,0|0,0,1]=3 109 B8R0.3 CCC(=C)C(=O)COC HMDB0030330 [1,1,0,0,0,0|2,0,0]=4 110 B8R0.3 CCCC(=O)C(=O)CC HMDB0031477 [1,1,0,0,0,0|1,0,1]=4 111 B8R0.3 CCOC(=O)C(/C)=C/C HMDB0038962 [1,1,0,0,0,0|0,0,1]=3 112 B8R0.3 CCOC(=O)C(C)CC HMDB0033745 [1,1,0,0,0,0|0,0,1]=3 113 B10R0.26 CCCC(=O)OC(C)C(C)=O HMDB0036230 [0,1,0,0,0,1|1,0,0]=3 114 B10R0.57 CCC(C)C(=O)NCC(O)=O HMDB0000339 [0,1,0,0,0,1|2,0,0]=4 115 B10R0.78 CCCCC(=O)NCC(O)=O HMDB0000927 [0,1,0,0,0,1|2,0,0]=4 116 B10R0.96 CC(C)CC(=O)NCC(O)=O HMDB0000678 [0,1,0,0,0,1|2,0,0]=4 117 B10R0.6 CCCCCC(=O)CC(C)=O HMDB0031263 [0,2,0,0,0,0|1,0,0]=3 118 B10R0.6 CCCCCC(=O)CC(O)=O HMDB0010721 [0,2,0,0,0,0|2,0,0]=4 119 B10R0.6 CCCCCC(=O)CC([O-])=O HMDB0039845 [0,2,0,0,0,0|2,0,0]=4 120 B10R0.6 CCCCOC(=O)CC(C)C HMDB0032042 [0,2,0,0,0,0|1,0,1]=4 121 B10R0.35 CCOC(=O)C(O)C(C)CC HMDB0032270 [0,2,0,0,0,0|1,0,1]=4 122 B10R0.2 CCCC(=O)CC(=O)OCC HMDB0031307 [0,2,0,0,0,0|0,0,0]=2 123 B10R0.2 CCCC(O)CC(=O)OCC HMDB0031509 [0,2,0,0,0,0|0,0,2]=4 124 B10R0.2 CCOC(=O)CC(=O)OCC HMDB0029573 [0,2,0,0,0,0|0,0,0]=2 125 B8R1.4 CC1=CC(=O)CCC1 HMDB0031541 [1,0,0,1,0,0|1,0,1]=4 126 B8R1.4 O=C1CCNC(=O)N1 HMDB0000076 [1,0,0,1,0,0|2,0,0]=4 127 B8R1.18 CC1OC(C)=CC1=O HMDB0032233 [1,0,0,1,0,0|0,0,2]=4 128 B8R1.18 CN1CC(=O)NC1=O HMDB0003646 [1,0,0,1,0,0|2,0,0]=4 129 B8R1.7 CC(=O)N1CCC=C1 HMDB0031163 [1,0,0,1,0,0|2,0,0]=4 130 B8R1.5 O=C1CCCCC1=O HMDB0031344 [0,0,0,1,1,0|1,0,0]=3 131 B10R1.66 CC(=O)OCC1CCCO1 HMDB0031176 [0,0,0,1,0,1|1,0,1]=4 132 B10R1.329 CC1=CC(C)(C)CC(=O)C1 HMDB0040338 [0,1,0,1,0,0|2,0,0]=4 133 B6R0.3 CCC(=C)C(O)=O HMDB0001862 [1,0,0,0,1,0|2,0,0]=4 134 B6R0.3 CCC(=O)C(C)=O HMDB0031598 [1,0,0,0,1,0|0,0,0]=2 135 B6R0.3 CCC(=O)C(C)C HMDB0005846 [1,0,0,0,1,0|1,0,1]=4 136 B6R0.3 CCC(=O)C(O)=O HMDB0000005 [1,0,0,0,1,0|1,0,0]=3 137 B6R0.3 COC(=O)C(C)=C HMDB0032385 [1,0,0,0,1,0|1,0,0]=3 138 B6R0.3 COC(=O)C(C)C HMDB0031249 [1,0,0,0,1,0|1,0,1]=4 139 B6R0.3 OC(=O)C(=O)CS HMDB0001368 [1,0,0,0,1,0|2,0,0]=4 140 B6R0.3 OCC(=O)C(O)=O HMDB0001352 [1,0,0,0,1,0|2,0,0]=4