0 B14R1.686 CC(CC1=CC(O)=C(O)C=C1)C(=O)O HMDB0060735 [0,0,0,0,0,0|1,0,0]=1 1 B14R1.686 NC(CC1=CC(Cl)=C(O)C=C1)C(=O)O HMDB0001885 [0,0,0,0,0,0|1,0,0]=1 2 B14R1.686 N[C@@H](CC1=CC(O)=C(O)C=C1)C(=O)O HMDB0000181 [0,0,0,0,0,0|0,0,0]=0 3 B14R1.686 N[C@@H](CN1C=CC(=O)C(O)=C1)C(=O)O HMDB0015188 [0,0,0,0,0,0|1,0,1]=2 4 B13R1.133 NC(=O)C(N)CC1=CC=C(O)C=C1 HMDB0013319 [1,0,0,0,0,0|1,0,0]=2 5 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)O HMDB0000158 [1,0,0,0,0,0|0,0,0]=1 6 B13R1.133 O=C(O)C(=O)CC1=CC=C(O)C=C1 HMDB0000707 [1,0,0,0,0,0|1,0,1]=3 7 B13R1.133 O=C(O)C(O)CC1=CC=C(O)C=C1 HMDB0000755 [1,0,0,0,0,0|1,0,0]=2 8 B13R1.148 CC(CC1=CC(O)=CC=C1)C(=O)O HMDB0060734 [1,0,0,0,0,0|1,0,0]=2 9 B13R1.148 O=C(O)C(=O)CC1=CC(O)=CC=C1 HMDB0011663 [1,0,0,0,0,0|1,0,1]=3 10 B13R1.511 O=C(O)\C=C/C1=CC=C(O)C(O)=C1 HMDB0001964 [1,0,0,0,0,0|0,0,2]=3 11 B13R1.511 OC(=O)CCC1=CC(O)=C(O)C=C1 HMDB0000423 [1,0,0,0,0,0|0,0,0]=1 12 B15R1.890 N[C@@H](C(=O)O)[C@@H](O)C1=CC(O)=C(O)C=C1 HMDB0015627 [0,1,0,0,0,0|0,0,0]=1 13 B15R1.3777 COC1=CC=C(CC(O)C(=O)O)C=C1O HMDB0041665 [0,1,0,0,0,0|1,0,0]=2 14 B15R1.4038 COC1=C(O)C=CC(CC(=O)C(=O)O)=C1 HMDB0011714 [0,1,0,0,0,0|1,0,1]=3 15 B15R1.4038 COC1=C(O)C=CC(CC(C)C(=O)O)=C1 HMDB0060737 [0,1,0,0,0,0|1,0,0]=2 16 B15R1.4038 COC1=C(O)C=CC(CC(N)C(=O)O)=C1 HMDB0001434 [0,1,0,0,0,0|0,0,0]=1 17 B15R1.4038 COC1=C(O)C=CC(C[C@H](N)C(=O)O)=C1 HMDB0060747 [0,1,0,0,0,0|0,0,0]=1 18 B15R1.4038 COC1=CC(CC(O)C(=O)O)=CC=C1O HMDB0000913 [0,1,0,0,0,0|1,0,0]=2 19 B15R1.11316 C[C@](N)(CC1=CC=C(O)C(O)=C1)C(=O)O HMDB0011754 [0,1,0,0,0,0|0,0,0]=1 20 B15R1.28955 [C@H](N)(CC1=CC(I)=C(O)C(I)=C1)C(=O)O HMDB0003474 [0,1,0,0,0,0|1,0,0]=2 21 B13R1.510 O=C(O)C(O)C1=CC=C(O)C(O)=C1 HMDB0001866 [0,0,0,0,1,0|1,0,0]=2 22 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 HMDB0002199 [2,0,0,0,0,0|0,0,0]=2 23 B12R1.21 O=C(O)\C=C/C1=CC=C(O)C=C1 HMDB0030677 [2,0,0,0,0,0|0,0,2]=4 24 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 HMDB0002035 [2,0,0,0,0,0|0,0,2]=4 25 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O HMDB0000159 [2,0,0,0,0,0|0,0,0]=2 26 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 HMDB0000205 [2,0,0,0,0,0|1,0,1]=4 27 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 HMDB0000779 [2,0,0,0,0,0|1,0,0]=3 28 B12R1.226 O=C(O)CCC1=CC=CC(O)=C1 HMDB0000375 [2,0,0,0,0,0|0,0,0]=2 29 B12R1.226 O=C(O)\C=C\C1=CC=CC(O)=C1 HMDB0001713 [2,0,0,0,0,0|0,0,2]=4 30 B12R1.19 CC(=O)CC1=CC(O)=C(O)C=C1 HMDB0031132 [2,0,0,0,0,0|1,0,1]=4 31 B12R1.19 CC(N)CC1=CC(O)=C(O)C=C1 HMDB0060807 [2,0,0,0,0,0|0,0,1]=3 32 B12R1.19 O=C(O)CC1=CC(O)=C(O)C=C1 HMDB0001336 [2,0,0,0,0,0|1,0,1]=4 33 B14R1.7626 C[C@](N)(CC1=CC=C(O)C=C1)C(=O)O HMDB0014903 [1,1,0,0,0,0|0,0,0]=2 34 B14R1.4404 CC(O)(CC1=CC(O)=CC=C1)C(=O)O HMDB0060733 [1,1,0,0,0,0|1,0,0]=3 35 B14R1.42 COC1=C(O)C=CC(\C=C\C(=O)O)=C1 HMDB0000954 [1,1,0,0,0,0|0,0,2]=4 36 B14R1.3653 COC1=C(O)C=C(\C=C\C(=O)O)C=C1 HMDB0000955 [1,1,0,0,0,0|0,0,2]=4 37 B14R1.41 COC1=C(O)C=CC([C@H](O)C(=O)O)=C1 HMDB0000291 [0,1,0,0,1,0|1,0,0]=3 38 B16R1.94545 C[C@@](CC1=CC(O)=C(O)C=C1)(NN)C(=O)O HMDB0014336 [0,2,0,0,0,0|0,0,0]=2 39 B16R1.1058 N[C@@H](CC1=CC=C(O)C([N+](=O)[O-])=C1)C(=O)O HMDB0001904 [0,2,0,0,0,0|0,0,1]=3 40 B16R1.27683 COC1=C(O)C=CC(CC(C)(O)C(=O)O)=C1 HMDB0060736 [0,2,0,0,0,0|1,0,0]=3 41 B16R2.11380 O=C1CCC(CC2=CC(O)=C(O)C=C2)O1 HMDB0029185 [0,0,0,1,0,1|2,0,0]=4 42 B12R1.20 CC(C(=O)O)C1=CC=C(O)C=C1 HMDB0041683 [1,0,0,0,1,0|1,0,0]=3 43 B12R1.20 O=C(O)C(O)C1=CC=C(O)C=C1 HMDB0000822 [1,0,0,0,1,0|1,0,0]=3 44 B12R1.225 O=C(O)C(O)C1=CC(O)=CC=C1 HMDB0000750 [1,0,0,0,1,0|1,0,0]=3 45 B12R1.367 OCC(O)C1=CC(O)=C(O)C=C1 HMDB0000318 [1,0,0,0,1,0|1,0,1]=4 46 B16R1.1036 O=C(O)CCC(O)CC1=CC(O)=C(O)C=C1 HMDB0041679 [0,0,0,0,0,2|1,0,0]=3