0 B7R0.6 CC(=O)CCC(O)=O HMDB0000720 [0,0,0,0,0,0|1,0,3]=4 1 B7R0.6 CC(=O)NCC(O)=O HMDB0000532 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.6 CC(C)/C=C\C(C)=O HMDB0031550 [0,0,0,0,0,0|1,0,0]=1 3 B7R0.6 CC(C)/C=C\C(O)=O HMDB0031561 [0,0,0,0,0,0|0,0,0]=0 4 B7R0.6 CC(C)CCC(C)=O HMDB0031549 [0,0,0,0,0,0|1,0,2]=3 5 B7R0.6 CC(C)CCC(O)=O HMDB0000689 [0,0,0,0,0,0|0,0,2]=2 6 B7R0.6 CC(C)COC(C)=O HMDB0031246 [0,0,0,0,0,0|2,0,1]=3 7 B7R0.6 OC(=O)/C=C/C(O)=O HMDB0000134 [0,0,0,0,0,0|2,0,1]=3 8 B7R0.6 OC(=O)/C=C\C(O)=O HMDB0000176 [0,0,0,0,0,0|2,0,1]=3 9 B6R0.4 CC(C)/C=C\C=O HMDB0031196 [1,0,0,0,0,0|0,0,0]=1 10 B6R0.4 CC(C)CCC=O HMDB0001318 [1,0,0,0,0,0|0,0,2]=3 11 B6R0.4 CC(C)COC=O HMDB0031247 [1,0,0,0,0,0|1,0,1]=3 12 B6R0.4 CC/C=C/C(O)=O HMDB0032459 [1,0,0,0,0,0|0,0,0]=1 13 B6R0.4 CCCCC(C)=O HMDB0005842 [1,0,0,0,0,0|1,0,2]=4 14 B6R0.4 CCCCC(O)=O HMDB0000892 [1,0,0,0,0,0|0,0,2]=3 15 B6R0.4 CCNCC(O)=O HMDB0041945 [1,0,0,0,0,0|1,0,1]=3 16 B6R0.4 CCOCC(O)=O HMDB0031212 [1,0,0,0,0,0|1,0,1]=3 17 B6R0.4 CSCCC(O)=O HMDB0001527 [1,0,0,0,0,0|1,0,2]=4 18 B6R0.4 NCCCC(O)=O HMDB0000112 [1,0,0,0,0,0|1,0,2]=4 19 B6R0.4 OC/C=C/C(O)=O HMDB0003381 [1,0,0,0,0,0|1,0,0]=2 20 B6R0.4 OCCCC(O)=O HMDB0000710 [1,0,0,0,0,0|1,0,2]=4 21 B8R0.9 CC(=O)/C=C/C(=O)C=O HMDB0032651 [0,1,0,0,0,0|1,0,2]=4 22 B8R0.9 COC(=O)/C=C\C(O)=O HMDB0033809 [0,1,0,0,0,0|1,0,1]=3 23 B8R0.9 COC(=O)CCC(C)C HMDB0036238 [0,1,0,0,0,0|0,0,2]=3 24 B8R0.23 C/C(=C/C(O)=O)C(O)=O HMDB0000634 [0,1,0,0,0,0|2,0,1]=4 25 B8R0.23 C/C(=C\C(O)=O)C(O)=O HMDB0000749 [0,1,0,0,0,0|2,0,1]=4 26 B8R0.23 CC(C)/C=C(\C)C(O)=O HMDB0039819 [0,1,0,0,0,0|0,0,0]=1 27 B8R0.23 CC(C)CC(=O)C(C)=O HMDB0031593 [0,1,0,0,0,0|1,0,1]=3 28 B8R0.23 CC(C)CC(=O)C(O)=O HMDB0000695 [0,1,0,0,0,0|0,0,1]=2 29 B8R0.23 CC(C)CC(O)C(O)=O HMDB0000665 [0,1,0,0,0,0|0,0,2]=3 30 B8R0.23 CC(C)C[C@@H](N)C(O)=O HMDB0013773 [0,1,0,0,0,0|0,0,2]=3 31 B8R0.23 CC(C)C[C@@H](O)C(O)=O HMDB0000624 [0,1,0,0,0,0|0,0,2]=3 32 B8R0.23 CC(C)C[C@H](O)C(O)=O HMDB0000746 [0,1,0,0,0,0|0,0,2]=3 33 B8R0.23 CC(C)[C@@H](N)CC(O)=O HMDB0003640 [0,1,0,0,0,0|0,0,2]=3 34 B8R1.3 CC1=CC=C(O)C=C1 HMDB0001858 [0,0,0,1,0,0|1,0,2]=4 35 B8R1.3 CC1CCC(=O)CC1 HMDB0031540 [0,0,0,1,0,0|1,0,2]=4 36 B6R0.2 CC(=O)CC(O)=O HMDB0000060 [0,0,0,0,1,0|1,0,2]=4 37 B6R0.2 CC(C)=CC(C)=O HMDB0031563 [0,0,0,0,1,0|1,0,1]=3 38 B6R0.2 CC(C)=CC(O)=O HMDB0000509 [0,0,0,0,1,0|0,0,1]=2 39 B6R0.2 CC(C)CC(C)=O HMDB0002939 [0,0,0,0,1,0|1,0,1]=3 40 B6R0.2 CC(C)CC(O)=O HMDB0000718 [0,0,0,0,1,0|0,0,1]=2 41 B6R0.2 CC(C)OC(C)=O HMDB0031241 [0,0,0,0,1,0|2,0,0]=3 42 B6R0.2 CC(N)CC(O)=O HMDB0031654 [0,0,0,0,1,0|1,0,1]=3 43 B6R0.2 CC(O)CC(O)=O HMDB0000357 [0,0,0,0,1,0|1,0,1]=3 44 B6R0.2 CC(S)CC(C)=O HMDB0032376 [0,0,0,0,1,0|2,0,1]=4 45 B6R0.2 CN(C)CC(O)=O HMDB0000092 [0,0,0,0,1,0|1,0,1]=3 46 B6R0.2 C[C@@H](O)CC(O)=O HMDB0000011 [0,0,0,0,1,0|1,0,1]=3 47 B6R0.2 C[C@H](O)CC(O)=O HMDB0000442 [0,0,0,0,1,0|1,0,1]=3 48 B8R0.28 CC(C)/C=C\C=C(C)C HMDB0031415 [0,0,0,0,0,1|2,0,0]=3 49 B8R0.28 CC(C)=C/C=C\C(C)=O HMDB0031582 [0,0,0,0,0,1|1,0,1]=3 50 B8R0.28 CC(C)=CCCC(C)=O HMDB0035915 [0,0,0,0,0,1|1,0,2]=4 51 B8R0.28 CC(C)=CCOC(C)=O HMDB0029314 [0,0,0,0,0,1|1,0,2]=4 52 B8R0.28 CC(C)=CCSC(C)=O HMDB0031698 [0,0,0,0,0,1|1,0,2]=4 53 B8R0.28 CC(C)C/C=C/C(C)=O HMDB0032403 [0,0,0,0,0,1|1,0,0]=2 54 B8R0.28 CC(C)CCCC(O)=O HMDB0031595 [0,0,0,0,0,1|0,0,2]=3 55 B8R0.28 CC(C)CCOC(C)=O HMDB0031528 [0,0,0,0,0,1|1,0,2]=4 56 B8R0.28 CC(O)CCCC(O)=O HMDB0000525 [0,0,0,0,0,1|1,0,2]=4 57 B8R0.28 C[C@@H](O)CCCC(O)=O HMDB0000409 [0,0,0,0,0,1|1,0,2]=4 58 B8R0.28 OC(=O)C/C=C/C(O)=O HMDB0000620 [0,0,0,0,0,1|2,0,1]=4 59 B5R0.1 C/C=C/C(C)=O HMDB0001184 [2,0,0,0,0,0|1,0,0]=3 60 B5R0.1 C/C=C/C(O)=O HMDB0010720 [2,0,0,0,0,0|0,0,0]=2 61 B5R0.1 C/C=C\C(O)=O HMDB0034439 [2,0,0,0,0,0|0,0,0]=2 62 B5R0.1 CC(C)=CC=O HMDB0012157 [2,0,0,0,0,0|0,0,1]=3 63 B5R0.1 CC(C)=CCO HMDB0030124 [2,0,0,0,0,0|0,0,2]=4 64 B5R0.1 CC(C)CCO HMDB0006007 [2,0,0,0,0,0|0,0,2]=4 65 B5R0.1 CCCC(O)=O HMDB0000039 [2,0,0,0,0,0|0,0,1]=3 66 B5R0.1 CCNC(C)=O HMDB0031215 [2,0,0,0,0,0|2,0,0]=4 67 B5R0.1 CCOC(C)=O HMDB0031217 [2,0,0,0,0,0|2,0,0]=4 68 B5R0.1 CCOC(N)=O HMDB0031219 [2,0,0,0,0,0|2,0,0]=4 69 B5R0.1 CCOC(O)=O HMDB0031232 [2,0,0,0,0,0|1,0,0]=3 70 B5R0.1 CCSC(C)=O HMDB0031190 [2,0,0,0,0,0|2,0,0]=4 71 B5R0.1 CNCC(O)=O HMDB0000271 [2,0,0,0,0,0|1,0,1]=4 72 B5R0.1 COCC(O)=O HMDB0041929 [2,0,0,0,0,0|1,0,1]=4 73 B5R0.1 NCCC(O)=O HMDB0000056 [2,0,0,0,0,0|1,0,1]=4 74 B5R0.1 OC(=O)CC=O HMDB0011111 [2,0,0,0,0,0|1,0,1]=4 75 B5R0.1 OC(=O)CCI HMDB0031252 [2,0,0,0,0,0|1,0,1]=4 76 B5R0.1 OCCC(O)=O HMDB0000700 [2,0,0,0,0,0|1,0,1]=4 77 B5R0.2 C=C/C=C\C=O HMDB0031597 [2,0,0,0,0,0|0,0,2]=4 78 B5R0.2 CC/C=C\C=O HMDB0031601 [2,0,0,0,0,0|0,0,0]=2 79 B5R0.2 CC/C=C\CO HMDB0031604 [2,0,0,0,0,0|0,0,1]=3 80 B5R0.2 CCCCC=O HMDB0031206 [2,0,0,0,0,0|0,0,2]=4 81 B7R0.2 CCC(C)CC(O)=O HMDB0033774 [1,1,0,0,0,0|0,0,2]=4 82 B7R0.2 CCC(O)CC(O)=O HMDB0000531 [1,1,0,0,0,0|0,0,2]=4 83 B7R0.3 CCC(=O)/C=C/C=O HMDB0031759 [1,1,0,0,0,0|1,0,1]=4 84 B7R0.3 CCCCC(=O)OC HMDB0031207 [1,1,0,0,0,0|0,0,2]=4 85 B7R0.4 C/C=C/C=C/C(O)=O HMDB0029581 [1,1,0,0,0,0|0,0,1]=3 86 B7R0.4 CC(C)=CCOC=O HMDB0032490 [1,1,0,0,0,0|0,0,2]=4 87 B7R0.4 CC/C=C\CC(C)O HMDB0041320 [1,1,0,0,0,0|1,0,1]=4 88 B7R0.4 CCC/C=C/C(C)=O HMDB0031486 [1,1,0,0,0,0|1,0,0]=3 89 B7R0.4 CCC/C=C/C(O)=O HMDB0010719 [1,1,0,0,0,0|0,0,0]=2 90 B7R0.4 CCCCCC(O)=O HMDB0000535 [1,1,0,0,0,0|0,0,2]=4 91 B7R0.4 NCCCCC(O)=O HMDB0003355 [1,1,0,0,0,0|0,0,2]=4 92 B7R0.5 C/C=C\C(C)C(O)=O HMDB0031562 [1,1,0,0,0,0|0,0,2]=4 93 B7R0.5 CC/C=C(/C)C(O)=O HMDB0031560 [1,1,0,0,0,0|0,0,0]=2 94 B7R0.5 CCCC(=O)C(C)=O HMDB0031491 [1,1,0,0,0,0|1,0,1]=4 95 B7R0.5 CCCC(=O)C(O)=O HMDB0001865 [1,1,0,0,0,0|0,0,1]=3 96 B7R0.5 CCCC(C)C(O)=O HMDB0031580 [1,1,0,0,0,0|0,0,2]=4 97 B7R0.5 CCCC(O)C(O)=O HMDB0001863 [1,1,0,0,0,0|0,0,2]=4 98 B7R0.5 CCC[C@@H](N)C(O)=O HMDB0013716 [1,1,0,0,0,0|0,0,2]=4 99 B7R0.5 CCOC(=O)C(O)=C HMDB0031643 [1,1,0,0,0,0|2,0,0]=4 100 B7R0.5 NCCC(=C)C(O)=O HMDB0030409 [1,1,0,0,0,0|1,0,1]=4 101 B7R0.5 OCCC(=O)C(O)=O HMDB0031204 [1,1,0,0,0,0|1,0,1]=4 102 B7R0.9 CC(=O)CC(C)(C)O HMDB0031511 [0,1,0,0,1,0|1,0,1]=4 103 B7R0.9 CC(=O)CC(C)(C)S HMDB0031519 [0,1,0,0,1,0|1,0,1]=4 104 B7R0.9 CC(C)(O)CC(O)=O HMDB0000754 [0,1,0,0,1,0|0,0,1]=3 105 B7R0.16 CC(C)C(=O)C(C)=O HMDB0031559 [0,1,0,0,1,0|1,0,0]=3 106 B7R0.16 CC(C)C(=O)C(O)=O HMDB0000019 [0,1,0,0,1,0|0,0,0]=2 107 B7R0.16 CC(C)C(O)C(O)=O HMDB0000407 [0,1,0,0,1,0|0,0,1]=3 108 B7R0.16 CC(O)C(C)C(O)=O HMDB0000354 [0,1,0,0,1,0|1,0,1]=4 109 B7R0.16 C[C@@H](O)[C@@H](C)C(O)=O HMDB0000410 [0,1,0,0,1,0|1,0,1]=4 110 B7R0.16 C[C@@H](O)[C@@H](O)C(O)=O HMDB0000498 [0,1,0,0,1,0|1,0,1]=4 111 B7R0.16 C[C@@H](O)[C@H](C)C(O)=O HMDB0000351 [0,1,0,0,1,0|1,0,1]=4 112 B7R0.16 C[C@@H](O)[C@H](C)C(O)=O HMDB0000642 [0,1,0,0,1,0|1,0,1]=4 113 B7R0.16 C[C@@H](O)[C@H](O)C(O)=O HMDB0002453 [0,1,0,0,1,0|1,0,1]=4 114 B7R0.16 C[C@H](O)[C@H](N)C(O)=O HMDB0004041 [0,1,0,0,1,0|1,0,1]=4 115 B9R0.1 COC(=O)CCCC(C)C HMDB0031596 [0,1,0,0,0,1|0,0,2]=4 116 B9R0.7 CC(C)C(=O)NCC(O)=O HMDB0000730 [0,1,0,0,0,1|0,0,1]=3 117 B9R0.7 CC(N)C(=O)NCC(O)=O HMDB0006899 [0,1,0,0,0,1|1,0,1]=4 118 B9R0.7 CC(N)C(=O)NCC(O)=O HMDB0028687 [0,1,0,0,0,1|1,0,1]=4 119 B9R0.53 CC(C)CC(O)CC(O)=O HMDB0002207 [0,1,0,0,0,1|0,0,2]=4 120 B9R0.53 CC(C)SC(=O)C=C(C)C HMDB0032354 [0,1,0,0,0,1|2,0,0]=4 121 B9R0.53 C[C@H](N)CC(=O)CC(O)=O HMDB0012131 [0,1,0,0,0,1|1,0,1]=4 122 B9R0.23 COC(=O)C(O)CC(C)C HMDB0036231 [0,2,0,0,0,0|0,0,2]=4 123 B9R0.24 COC(=O)/C=C\C(=O)OC HMDB0031257 [0,2,0,0,0,0|1,0,1]=4 124 B9R0.48 CCOC(=O)/C=C\C(O)=O HMDB0040207 [0,2,0,0,0,0|1,0,1]=4 125 B9R0.48 CCOC(=O)CCC(C)C HMDB0032272 [0,2,0,0,0,0|0,0,2]=4 126 B9R0.64 CC(=C)/C=C/C(C)(C)C=C HMDB0041574 [0,2,0,0,0,0|2,0,0]=4 127 B7R1.2 CC1COC(=O)C1 HMDB0002167 [1,0,0,1,0,0|1,0,1]=4 128 B7R1.2 CC1OC(=O)C=C1 HMDB0029609 [1,0,0,1,0,0|0,0,0]=2 129 B7R1.2 OC1C=CC(O)=N1 HMDB0030276 [1,0,0,1,0,0|2,0,0]=4 130 B7R1.3 CC1=CC=CCC1 HMDB0031532 [1,0,0,1,0,0|1,0,1]=4 131 B7R1.3 CC1=CCCC=C1 HMDB0032395 [1,0,0,1,0,0|2,0,0]=4 132 B7R1.18 OC(=O)C1CCN1 HMDB0029615 [1,0,0,1,0,0|1,0,1]=4 133 B9R1.35 CC1CNC(C1)C(O)=O HMDB0029435 [0,0,0,1,0,1|0,0,2]=4 134 B9R1.35 OC1CC(N=C1)C(O)=O HMDB0001369 [0,0,0,1,0,1|1,0,1]=4 135 B9R1.35 OC1CN=C(C1)C(O)=O HMDB0002234 [0,0,0,1,0,1|1,0,1]=4 136 B9R1.69 CC1=CC=C(O)C=C1C HMDB0032151 [0,1,0,1,0,0|1,0,1]=4 137 B9R1.69 CC1CNC(=O)NC1=O HMDB0000079 [0,1,0,1,0,0|2,0,0]=4 138 B9R1.69 CC1OC(=O)C=CC1O HMDB0031303 [0,1,0,1,0,0|1,0,0]=3 139 B5R0.5 CC(=O)C(O)=O HMDB0000243 [0,0,0,0,2,0|1,0,1]=4 140 B5R0.5 CC(C)C(O)=O HMDB0001873 [0,0,0,0,2,0|0,0,0]=2 141 B5R0.5 CC(S)C(O)=O HMDB0031520 [0,0,0,0,2,0|1,0,0]=3 142 B5R0.5 C[C@@H](N)C(O)=O HMDB0001310 [0,0,0,0,2,0|1,0,0]=3 143 B5R0.5 C[C@@H](O)C(O)=O HMDB0001311 [0,0,0,0,2,0|1,0,0]=3 144 B5R0.5 C[C@H](N)C(O)=O HMDB0000161 [0,0,0,0,2,0|1,0,0]=3 145 B5R0.5 C[C@H](O)C(O)=O HMDB0000190 [0,0,0,0,2,0|1,0,0]=3 146 B9R0.55 CC(C)CCCCC(O)=O HMDB0031588 [0,0,0,0,0,2|0,0,2]=4