0 B8R0.16 COC(CC(C)=O)OC HMDB0033851 [0,0,0,0,0,0|0,0,0]=0 1 B7R0.2 CC(CO)CC(O)=O HMDB0002011 [1,0,0,0,0,0|3,0,0]=4 2 B7R0.2 CCC(C)CC(O)=O HMDB0033774 [1,0,0,0,0,0|2,0,0]=3 3 B7R0.2 CCC(O)CC(O)=O HMDB0000531 [1,0,0,0,0,0|2,0,0]=3 4 B7R0.2 COC(=O)CC(C)=O HMDB0000310 [1,0,0,0,0,0|0,0,2]=3 5 B7R0.2 CSC(C)CC(C)=O HMDB0032430 [1,0,0,0,0,0|0,1,0]=2 6 B7R0.2 OCC(O)CC(O)=O HMDB0000337 [1,0,0,0,0,0|3,0,0]=4 7 B9R1.13 OC(=O)CC1CCCN1 HMDB0029444 [0,0,0,1,0,0|3,0,0]=4 8 B7R0.15 CCC(CC)C(O)=O HMDB0031221 [0,0,0,0,1,0|3,0,0]=4 9 B9R0.43 CCC(CC)COC(C)=O HMDB0031703 [0,0,0,0,0,1|2,0,0]=3 10 B6R0.1 CCCC(O)CC HMDB0031493 [2,0,0,0,0,0|1,0,1]=4 11 B6R0.2 CC(=C)CC(C)=O HMDB0031564 [2,0,0,0,0,0|0,0,2]=4 12 B6R0.2 CC(=O)CC(C)=O HMDB0031648 [2,0,0,0,0,0|0,0,2]=4 13 B6R0.2 CC(=O)CC(O)=O HMDB0000060 [2,0,0,0,0,0|0,0,2]=4 14 B6R0.2 CC(C)=CC(C)=O HMDB0031563 [2,0,0,0,0,0|0,0,2]=4 15 B6R0.2 CC(C)CC(C)=O HMDB0002939 [2,0,0,0,0,0|0,0,0]=2 16 B6R0.2 CC(C)CC(O)=O HMDB0000718 [2,0,0,0,0,0|1,0,0]=3 17 B6R0.2 CC(C)OC(C)=O HMDB0031241 [2,0,0,0,0,0|1,0,0]=3 18 B6R0.2 CC(N)CC(O)=O HMDB0031654 [2,0,0,0,0,0|2,0,0]=4 19 B6R0.2 CC(O)CC(O)=O HMDB0000357 [2,0,0,0,0,0|1,0,0]=3 20 B6R0.2 CC(S)CC(C)=O HMDB0032376 [2,0,0,0,0,0|0,1,0]=3 21 B6R0.2 CN(C)CC(O)=O HMDB0000092 [2,0,0,0,0,0|2,0,0]=4 22 B6R0.2 C[C@@H](O)CC(O)=O HMDB0000011 [2,0,0,0,0,0|1,0,0]=3 23 B6R0.2 C[C@H](O)CC(O)=O HMDB0000442 [2,0,0,0,0,0|1,0,0]=3 24 B6R0.4 CCCCC(C)=O HMDB0005842 [2,0,0,0,0,0|1,0,0]=3 25 B6R0.4 CCCCC(O)=O HMDB0000892 [2,0,0,0,0,0|2,0,0]=4 26 B6R0.4 CSCCC(C)=O HMDB0031316 [2,0,0,0,0,0|0,1,0]=3 27 B6R0.4 CSCCC(O)=O HMDB0001527 [2,0,0,0,0,0|1,1,0]=4 28 B6R0.9 CCC(CC)C=O HMDB0031220 [2,0,0,0,0,0|2,0,0]=4 29 B8R0.2 CCC(O)C(O)C(O)=O HMDB0000421 [1,1,0,0,0,0|2,0,0]=4 30 B8R0.2 CC[C@@H](C)[C@@H](O)C(O)=O HMDB0000317 [1,1,0,0,0,0|2,0,0]=4 31 B8R0.2 CC[C@@H](C)[C@H](N)C(O)=O HMDB0000557 [1,1,0,0,0,0|2,0,0]=4 32 B8R0.5 CCCC(C)OC(C)=O HMDB0031600 [1,1,0,0,0,0|2,0,0]=4 33 B8R0.5 CCOC(=O)CC(C)=O HMDB0031216 [1,1,0,0,0,0|0,0,2]=4 34 B8R0.5 CCOC(=O)CC(C)=O HMDB0031218 [1,1,0,0,0,0|0,0,2]=4 35 B8R0.5 CCOC(C)OC(C)=O HMDB0032158 [1,1,0,0,0,0|1,0,0]=3 36 B8R0.5 [C@@H](O)(CCC)CC(O)=O HMDB0010718 [1,1,0,0,0,0|2,0,0]=4 37 B8R0.19 COC(=O)CC(C)SC HMDB0032410 [1,1,0,0,0,0|0,1,0]=3 38 B8R1.1 CCC1CCC(=O)O1 HMDB0003843 [1,0,0,1,0,0|2,0,0]=4 39 B8R1.4 CC1CCCC(=O)O1 HMDB0000453 [1,0,0,1,0,0|2,0,0]=4 40 B10R1.66 CC(=O)OCC1CCCO1 HMDB0031176 [0,0,0,1,0,1|1,0,0]=3 41 B10R1.18 CC(=O)CC1CCCCN1 HMDB0030325 [0,1,0,1,0,0|2,0,0]=4 42 B10R1.18 CC(=O)C[C@H]1CCCCN1 HMDB0030324 [0,1,0,1,0,0|2,0,0]=4 43 B10R1.54 CC(C)CC1OCC(C)O1 HMDB0032203 [0,1,0,1,0,0|1,0,1]=4 44 B6R0.3 CCC(C)C(O)=O HMDB0002176 [1,0,0,0,1,0|2,0,0]=4 45 B6R0.3 CCC(O)C(O)=O HMDB0000008 [1,0,0,0,1,0|2,0,0]=4 46 B6R0.3 CC[C@H](C)C(O)=O HMDB0033742 [1,0,0,0,1,0|2,0,0]=4 47 B8R0.9 C/C=C(/C)CCC(C)=O HMDB0031591 [1,0,0,0,0,1|1,0,1]=4 48 B8R0.9 CC(=O)OC[C@@H](O)CO HMDB0012485 [1,0,0,0,0,1|2,0,0]=4