0 B9R0.53 CC(C)CC(=O)CC(C)C HMDB0013821 [0,0,0,0,0,0|0,0,2]=2 1 B9R0.53 CC(C)CC(=O)CC(C)C HMDB0031417 [0,0,0,0,0,0|0,0,2]=2 2 B9R0.53 CC(C)CC(=O)OC(C)C HMDB0032046 [0,0,0,0,0,0|1,0,2]=3 3 B9R0.53 CC(C)CC(O)CC(C)C HMDB0031153 [0,0,0,0,0,0|0,0,0]=0 4 B9R0.53 CC(C)CC(O)CC(O)=O HMDB0002207 [0,0,0,0,0,0|2,0,1]=3 5 B8R0.5 CCCC(=O)OC(C)C HMDB0039619 [1,0,0,0,0,0|1,0,2]=4 6 B8R0.5 CCCC(C)CC(C)O HMDB0031589 [1,0,0,0,0,0|2,0,0]=3 7 B8R0.5 CCOC(=O)CC(C)C HMDB0030028 [1,0,0,0,0,0|1,0,2]=4 8 B8R0.5 [C@@H](O)(CCC)CC(O)=O HMDB0010718 [1,0,0,0,0,0|2,0,1]=4 9 B8R0.28 CC(C)CCCC(O)=O HMDB0031595 [1,0,0,0,0,0|2,0,1]=4 10 B8R0.28 CC(C)CCOC(C)=O HMDB0031528 [1,0,0,0,0,0|2,0,1]=4 11 B8R0.28 CC(O)CCC=C(C)C HMDB0030030 [1,0,0,0,0,0|1,0,2]=4 12 B10R1.54 CC(C)CC1OCC(C)O1 HMDB0032203 [0,0,0,1,0,0|1,0,0]=2 13 B10R1.329 CC1CC(O)CC(C)(C)C1 HMDB0029557 [0,0,0,1,0,0|0,0,0]=1 14 B8R0.23 CC(C)CC(O)C(O)=O HMDB0000665 [0,0,0,0,1,0|2,0,1]=4 15 B8R0.23 CC(C)C[C@@H](O)C(O)=O HMDB0000624 [0,0,0,0,1,0|2,0,1]=4 16 B8R0.23 CC(C)C[C@H](O)C(O)=O HMDB0000746 [0,0,0,0,1,0|2,0,1]=4 17 B7R0.2 CCC(=O)CC(C)C HMDB0005841 [2,0,0,0,0,0|0,0,2]=4 18 B7R0.4 CC(O)CCCCO HMDB0031490 [2,0,0,0,0,0|2,0,0]=4 19 B7R0.4 CCCCCC(C)=O HMDB0003671 [2,0,0,0,0,0|1,0,1]=4 20 B7R0.4 CCCCCC(C)O HMDB0033908 [2,0,0,0,0,0|1,0,0]=3 21 B7R0.4 CCCCCC(C)S HMDB0032303 [2,0,0,0,0,0|1,0,0]=3 22 B7R0.4 CCCNCC(C)C HMDB0031244 [2,0,0,0,0,0|1,0,0]=3 23 B7R0.4 CSSCCC(C)C HMDB0032408 [2,0,0,0,0,0|2,0,0]=4 24 B7R0.7 CCCC(=O)CCC HMDB0004814 [2,0,0,0,0,0|0,0,2]=4 25 B9R0.4 CCCOC(=O)CC(C)C HMDB0032047 [1,1,0,0,0,0|0,0,2]=4 26 B9R0.23 COC(=O)C(O)CC(C)C HMDB0036231 [1,1,0,0,0,0|1,0,1]=4 27 B9R0.44 CC(CCO)CC(C)(C)C HMDB0031198 [1,1,0,0,0,0|2,0,0]=4 28 B9R0.1 CC(CO)CCCC(C)=C HMDB0037304 [1,1,0,0,0,0|0,0,2]=4 29 B9R0.1 COC(=O)CCCC(C)C HMDB0031596 [1,1,0,0,0,0|1,0,1]=4 30 B11R0.93 CSC(C)CC(=O)OCC(C)C HMDB0032346 [0,1,0,0,0,1|0,0,2]=4 31 B11R0.92 CC(C)C(=O)C(O)CC(C)C=C HMDB0032119 [0,2,0,0,0,0|0,0,2]=4 32 B9R1.35 CC(C)C1OCC(C)O1 HMDB0032204 [1,0,0,1,0,0|2,0,0]=4 33 B9R1.36 CC1CC(C)(C)CC1=O HMDB0031197 [0,0,0,1,1,0|0,0,2]=4 34 B11R1.166 CC(C)C1CC=C(C)CC1O HMDB0037016 [0,1,0,1,0,0|0,0,1]=3 35 B11R1.166 CC(C)C1CCC(C)=CC1O HMDB0035838 [0,1,0,1,0,0|0,0,2]=4 36 B11R1.166 CC(C)C1CCC(C)CC1O HMDB0035765 [0,1,0,1,0,0|0,0,0]=2 37 B11R1.166 CC(C)[C@@H]1CCC(C)=C[C@H]1O HMDB0035861 [0,1,0,1,0,0|0,0,2]=4 38 B11R1.166 CC(C)[C@@H]1CC[C@@H](C)CC1=O HMDB0035162 [0,1,0,1,0,0|0,0,2]=4 39 B11R1.166 CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1O HMDB0035763 [0,1,0,1,0,0|0,0,0]=2 40 B11R1.166 CC(C)[C@@H]1CC[C@H](C)CC1=O HMDB0034972 [0,1,0,1,0,0|0,0,2]=4 41 B11R1.166 CC(C)[C@@H]1CC[C@H](C)C[C@@H]1O HMDB0035764 [0,1,0,1,0,0|0,0,0]=2 42 B11R1.166 CC(C)[C@H]1CC[C@H](C)CC1=O HMDB0035783 [0,1,0,1,0,0|0,0,2]=4 43 B11R1.166 CC1CCC(C(O)C1)C(C)=C HMDB0036077 [0,1,0,1,0,0|0,0,2]=4 44 B11R1.166 C[C@@H]1CC[C@H]([C@H](O)C1)C(C)=C HMDB0036078 [0,1,0,1,0,0|0,0,2]=4 45 B11R1.1362 CC1(C)CC(=O)CC(C)(C)N1 HMDB0031179 [0,1,0,1,0,0|0,0,2]=4 46 B11R1.157 CC1CCOC(C1)C=C(C)C HMDB0036097 [0,1,0,1,0,0|0,0,2]=4 47 B7R0.6 CC(C)CCC(C)=O HMDB0031549 [1,0,0,0,1,0|1,0,1]=4 48 B7R0.6 CC(C)SSC(C)C HMDB0029578 [1,0,0,0,1,0|2,0,0]=4 49 B7R0.16 CC(C)C(=O)C(C)C HMDB0031429 [0,0,0,0,2,0|0,0,2]=4 50 B9R0.48 CCCC(=O)OCC(C)C HMDB0034161 [1,0,0,0,0,1|0,0,2]=4 51 B11R0.6 CC(C)CCOC(=O)CC(C)C HMDB0030029 [0,0,0,0,0,2|0,0,2]=4