0 B9R0.48 CCCC(=O)NCC(O)=O HMDB0000808 [0,0,0,0,0,0|3,0,0]=3 1 B9R0.48 CCCC(=O)OCC(C)=C HMDB0036236 [0,0,0,0,0,0|3,0,0]=3 2 B9R0.48 CCCC(=O)OCC(C)C HMDB0034161 [0,0,0,0,0,0|3,0,1]=4 3 B9R0.48 CCOC(=O)/C=C\C(O)=O HMDB0040207 [0,0,0,0,0,0|1,0,2]=3 4 B9R0.48 CCOC(=O)CCC(C)C HMDB0032272 [0,0,0,0,0,0|1,0,1]=2 5 B8R0.1 CCCC(=O)OCC=C HMDB0040591 [1,0,0,0,0,0|2,0,1]=4 6 B8R0.1 CCCC(=O)OCSC HMDB0038299 [1,0,0,0,0,0|3,0,0]=4 7 B8R0.1 CCCCC(=O)/C=C\C HMDB0031301 [1,0,0,0,0,0|1,0,2]=4 8 B8R0.1 CCCCC(=O)OCC HMDB0040297 [1,0,0,0,0,0|0,0,1]=2 9 B8R0.1 CCCOC(=O)CCC HMDB0039618 [1,0,0,0,0,0|2,0,1]=4 10 B8R0.1 CCOC(=O)CCC=C HMDB0031603 [1,0,0,0,0,0|0,0,1]=2 11 B8R0.1 CCOC(=O)CCSC HMDB0040413 [1,0,0,0,0,0|1,0,0]=2 12 B8R0.7 CC/C=C/C=C/C(C)=O HMDB0032446 [1,0,0,0,0,0|1,0,2]=4 13 B8R0.7 CC/C=C\CCC(O)=O HMDB0033793 [1,0,0,0,0,0|2,0,0]=3 14 B8R0.7 CCCCCCC(C)=O HMDB0031294 [1,0,0,0,0,0|1,0,1]=3 15 B8R0.7 CCCCCCC(O)=O HMDB0000666 [1,0,0,0,0,0|2,0,1]=4 16 B8R0.9 C/C=C(/C)CCC(C)=O HMDB0031591 [1,0,0,0,0,0|1,0,1]=3 17 B8R0.9 CCC(=O)NCC(O)=O HMDB0000783 [1,0,0,0,0,0|2,0,0]=3 18 B8R0.9 COC(=O)/C=C\C(O)=O HMDB0033809 [1,0,0,0,0,0|1,0,2]=4 19 B8R0.9 COC(=O)CCC(C)C HMDB0036238 [1,0,0,0,0,0|1,0,1]=3 20 B8R0.9 NCC(=O)CCC(O)=O HMDB0001149 [1,0,0,0,0,0|2,0,0]=3 21 B8R0.9 NCC(=O)NCC(O)=O HMDB0011733 [1,0,0,0,0,0|3,0,0]=4 22 B8R0.9 OC(=O)CCC(=O)C=O HMDB0013233 [1,0,0,0,0,0|2,0,1]=4 23 B10R0.26 CCCC(=O)OC(C)C(C)=O HMDB0036230 [0,1,0,0,0,0|2,0,0]=3 24 B10R0.26 CCCS(=O)CC(N)C(O)=O HMDB0029442 [0,1,0,0,0,0|3,0,0]=4 25 B10R0.57 CCC(C)C(=O)NCC(O)=O HMDB0000339 [0,1,0,0,0,0|3,0,0]=4 26 B10R0.78 CCCCC(=O)NCC(O)=O HMDB0000927 [0,1,0,0,0,0|3,0,0]=4 27 B10R0.96 CC(=O)CC(=O)CCC(O)=O HMDB0000635 [0,1,0,0,0,0|2,0,1]=4 28 B10R0.96 CC(C)CC(=O)NCC(O)=O HMDB0000678 [0,1,0,0,0,0|3,0,0]=4 29 B10R1.66 CC(=O)CCC1=CC=CO1 HMDB0032290 [0,0,0,1,0,0|1,0,2]=4 30 B10R1.66 CC(=O)OCC1CCCO1 HMDB0031176 [0,0,0,1,0,0|2,0,1]=4 31 B8R0.5 CCCC(=O)CC(O)=O HMDB0010717 [0,0,0,0,1,0|2,0,0]=3 32 B8R0.5 CCOC(=O)CC(C)=O HMDB0031216 [0,0,0,0,1,0|0,0,0]=1 33 B8R0.5 CCOC(=O)CC(C)=O HMDB0031218 [0,0,0,0,1,0|0,0,0]=1 34 B8R0.5 CCOC(=O)CC(C)C HMDB0030028 [0,0,0,0,1,0|1,0,1]=3 35 B8R0.5 CCOC(=O)CC(C)S HMDB0032271 [0,0,0,0,1,0|0,1,1]=3 36 B8R0.5 CCOC(=O)CC(O)=O HMDB0000576 [0,0,0,0,1,0|1,0,0]=2 37 B8R0.5 CCOC(C)OC(C)=O HMDB0032158 [0,0,0,0,1,0|2,0,1]=4 38 B10R0.3 CCCC(=O)OCCC(C)C HMDB0040221 [0,0,0,0,0,1|2,0,1]=4 39 B7R0.1 CC/C=C\CCC=O HMDB0031483 [2,0,0,0,0,0|1,0,0]=3 40 B7R0.1 CCCCCCC=O HMDB0031475 [2,0,0,0,0,0|1,0,1]=4 41 B7R0.3 CCC(=O)/C=C/C=O HMDB0031759 [2,0,0,0,0,0|0,0,2]=4 42 B7R0.3 CCC(=O)OCC=C HMDB0029487 [2,0,0,0,0,0|1,0,1]=4 43 B7R0.3 CCCCC(=O)CC HMDB0031482 [2,0,0,0,0,0|0,0,1]=3 44 B7R0.3 CCCCC(=O)OC HMDB0031207 [2,0,0,0,0,0|0,0,1]=3 45 B7R0.3 CCCOC(=O)CC HMDB0030059 [2,0,0,0,0,0|1,0,1]=4 46 B7R0.3 COC(=O)CCC=C HMDB0040328 [2,0,0,0,0,0|0,0,1]=3 47 B7R0.3 COC(=O)CCSC HMDB0034377 [2,0,0,0,0,0|1,0,0]=3 48 B7R0.7 CCCC(=O)/C=C/C HMDB0031488 [2,0,0,0,0,0|1,0,1]=4 49 B7R0.7 CCCC(=O)CCC HMDB0004814 [2,0,0,0,0,0|1,0,0]=3 50 B7R0.7 CCCC(=O)OCC HMDB0033889 [2,0,0,0,0,0|0,0,0]=2 51 B7R0.7 CCOC(=O)/C=C\C HMDB0039581 [2,0,0,0,0,0|0,0,1]=3 52 B7R0.7 CCOC(=O)CSC HMDB0040263 [2,0,0,0,0,0|1,0,0]=3 53 B7R0.4 CCC/C=C/C(C)=O HMDB0031486 [2,0,0,0,0,0|1,0,1]=4 54 B7R0.4 CCCCCC(C)=O HMDB0003671 [2,0,0,0,0,0|0,0,1]=3 55 B7R0.4 CCCCCC(O)=O HMDB0000535 [2,0,0,0,0,0|1,0,1]=4 56 B7R0.4 CCCCNC(C)=O HMDB0031651 [2,0,0,0,0,0|1,0,1]=4 57 B7R0.4 CCCCOC(C)=O HMDB0031325 [2,0,0,0,0,0|1,0,1]=4 58 B7R0.6 CC(=C)CCC(C)=O HMDB0031551 [2,0,0,0,0,0|1,0,0]=3 59 B7R0.6 CC(=O)CCC(O)=O HMDB0000720 [2,0,0,0,0,0|0,0,0]=2 60 B7R0.6 CC(=O)NCC(O)=O HMDB0000532 [2,0,0,0,0,0|1,0,0]=3 61 B7R0.6 CC(C)CCC(C)=O HMDB0031549 [2,0,0,0,0,0|1,0,1]=4 62 B7R0.6 CC(C)CCC(O)=O HMDB0000689 [2,0,0,0,0,0|1,0,1]=4 63 B7R0.6 OC(=O)CCC(O)=O HMDB0000254 [2,0,0,0,0,0|1,0,0]=3 64 B9R0.5 CCC/C=C/C(=O)OCC HMDB0032268 [1,1,0,0,0,0|0,0,2]=4 65 B9R0.5 CCCCCC(=O)CCC HMDB0031268 [1,1,0,0,0,0|1,0,1]=4 66 B9R0.5 CCCCCC(=O)OCC HMDB0040209 [1,1,0,0,0,0|0,0,1]=3 67 B9R0.5 CCCCOC(=O)CCC HMDB0039620 [1,1,0,0,0,0|1,0,1]=4 68 B9R0.5 CCOC(=O)/C=C/C=C/C HMDB0040463 [1,1,0,0,0,0|0,0,2]=4 69 B9R0.5 CCOC(=O)C/C=C\CC HMDB0032266 [1,1,0,0,0,0|0,0,1]=3 70 B9R0.5 CCOC(=O)CCCC=C HMDB0032267 [1,1,0,0,0,0|0,0,1]=3 71 B9R0.5 CCOC(=O)CCCSC HMDB0037620 [1,1,0,0,0,0|0,0,1]=3 72 B9R0.18 CCCCC(=O)OCC=C HMDB0032164 [1,1,0,0,0,0|0,0,2]=4 73 B9R0.18 CCCCC(=O)OCCC HMDB0040296 [1,1,0,0,0,0|0,0,1]=3 74 B9R0.34 CCOC(=O)CC(C)CC HMDB0034234 [1,1,0,0,0,0|0,0,1]=3 75 B9R0.35 CCCC(C)C(=O)OCC HMDB0031579 [1,1,0,0,0,0|0,0,1]=3 76 B9R0.35 CCOC(=O)C(C)/C=C\C HMDB0037622 [1,1,0,0,0,0|0,0,1]=3 77 B9R0.35 CCOC(=O)C(C)CC=C HMDB0029761 [1,1,0,0,0,0|0,0,1]=3 78 B9R0.2 CC/C=C/CCOC(C)=O HMDB0032533 [1,1,0,0,0,0|1,0,0]=3 79 B9R0.2 CC/C=C\CCCC(O)=O HMDB0032207 [1,1,0,0,0,0|2,0,0]=4 80 B9R0.2 CCC/C=C/CCC(O)=O HMDB0039793 [1,1,0,0,0,0|2,0,0]=4 81 B9R0.2 CCCCCCCC(C)=O HMDB0031266 [1,1,0,0,0,0|1,0,1]=4 82 B9R0.2 CCCCCCOC(C)=O HMDB0029980 [1,1,0,0,0,0|1,0,1]=4 83 B9R0.46 CCCCCCC(=O)CC HMDB0031267 [1,1,0,0,0,0|1,0,1]=4 84 B9R0.46 CCCCCCC(=O)OC HMDB0031478 [1,1,0,0,0,0|1,0,1]=4 85 B9R0.47 CCCCCC(O)C(C)=O HMDB0032335 [1,1,0,0,0,0|1,0,1]=4 86 B9R0.7 CC(C)C(=O)NCC(O)=O HMDB0000730 [1,1,0,0,0,0|2,0,0]=4 87 B9R0.7 CC(N)C(=O)NCC(O)=O HMDB0006899 [1,1,0,0,0,0|2,0,0]=4 88 B9R0.7 CC(N)C(=O)NCC(O)=O HMDB0028687 [1,1,0,0,0,0|2,0,0]=4 89 B9R0.23 COC(=O)C(O)CC(C)C HMDB0036231 [1,1,0,0,0,0|1,0,1]=4 90 B9R0.24 COC(=O)/C=C\C(=O)OC HMDB0031257 [1,1,0,0,0,0|0,0,2]=4 91 B9R0.53 CC(C)CC(=O)OC(C)C HMDB0032046 [0,1,0,0,1,0|1,0,1]=4 92 B9R0.53 C[C@H](N)CC(=O)CC(O)=O HMDB0012131 [0,1,0,0,1,0|2,0,0]=4 93 B11R0.62 CCOC(=O)/C=C\C(=O)OCC HMDB0038601 [0,2,0,0,0,0|0,0,2]=4 94 B9R1.7 CCOC1CCC(=O)O1 HMDB0031214 [1,0,0,1,0,0|0,0,2]=4 95 B9R1.69 CC1NC(=O)CNC1=O HMDB0031547 [1,0,0,1,0,0|2,0,0]=4 96 B9R1.35 OC(=O)C1CCC(=O)N1 HMDB0000805 [1,0,0,1,0,0|2,0,0]=4 97 B9R1.35 OC(=O)[C@@H]1CCC(=O)N1 HMDB0000267 [1,0,0,1,0,0|2,0,0]=4 98 B9R1.66 C[C@]1(O)CCOC(=O)C1 HMDB0006024 [0,0,0,1,1,0|0,0,2]=4 99 B11R1.21 CC1CCC(CC1=O)C(C)=C HMDB0036079 [0,1,0,1,0,0|2,0,0]=4 100 B11R1.21 C[C@H]1CC[C@@H](CC1=O)C(C)=C HMDB0036080 [0,1,0,1,0,0|2,0,0]=4 101 B7R0.2 CCC(=O)CC(C)C HMDB0005841 [1,0,0,0,1,0|1,0,1]=4 102 B7R0.2 COC(=O)CC(C)=O HMDB0000310 [1,0,0,0,1,0|0,0,0]=2 103 B7R0.2 COC(=O)CC(C)C HMDB0030027 [1,0,0,0,1,0|1,0,1]=4 104 B7R0.2 COC(=O)CC(C)O HMDB0041603 [1,0,0,0,1,0|0,0,2]=4 105 B7R0.2 COC(=O)CC(C)S HMDB0032409 [1,0,0,0,1,0|0,1,1]=4 106 B7R0.5 CCCC(=O)C(C)=O HMDB0031491 [0,0,0,0,2,0|1,0,0]=3 107 B7R0.5 CCCC(=O)C(O)=O HMDB0001865 [0,0,0,0,2,0|2,0,0]=4 108 B7R0.5 CCOC(=O)C(C)C HMDB0031248 [0,0,0,0,2,0|1,0,1]=4 109 B7R0.5 CCOC(=O)C(C)S HMDB0031521 [0,0,0,0,2,0|0,1,1]=4 110 B7R0.5 CCOC(=O)C(O)=C HMDB0031643 [0,0,0,0,2,0|0,0,2]=4 111 B11R0.176 CCOC(=O)CCCSC(C)=O HMDB0032259 [0,0,0,0,0,2|0,0,0]=2