HMDB0244635 RDKit 3D 2-(4-Methylphenoxy)-7-(4-chlorophenyl)heptanoic acid 47 48 0 0 0 0 0 0 0 0999 V2000 8.3986 0.3010 -0.1181 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9421 0.0401 -0.1917 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0602 1.0996 -0.2853 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7191 0.8885 -0.3543 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1831 -0.4237 -0.3325 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9227 -0.6036 -0.3981 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5997 -0.8164 -0.4661 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8394 0.0068 0.5271 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5752 -0.0853 0.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6265 0.0979 -0.2351 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0317 0.0640 0.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0471 0.2566 -0.6206 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4320 0.2481 -0.1104 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0936 1.3865 0.3067 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3860 1.3079 0.7722 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0574 0.0895 0.8354 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6880 -0.0561 1.4158 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -7.3937 -1.0550 0.4167 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0985 -0.9571 -0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2341 -0.3671 -1.8729 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1408 -0.4931 -2.3968 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2254 0.2594 -2.6809 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1391 -1.4472 -0.2361 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4784 -1.2552 -0.1664 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6717 0.6343 0.9049 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6720 1.1099 -0.8344 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9417 -0.6228 -0.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4956 2.1137 -0.3008 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0135 1.7287 -0.4289 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3340 -1.8818 -0.4398 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1318 1.1089 0.3304 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3751 -0.1604 1.5211 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7803 -1.1028 1.3099 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8144 0.6158 1.6522 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6540 -0.8556 -0.8623 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6139 0.9417 -0.8838 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1084 0.9208 1.1664 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1544 -0.8836 1.0059 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9198 -0.6144 -1.3244 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8939 1.2069 -1.1485 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5774 2.3193 0.2575 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9399 2.1808 1.1092 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9042 -2.0068 0.4609 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6301 -1.8967 -0.3625 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0284 1.2151 -2.9283 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6985 -2.4489 -0.2214 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1752 -2.1082 -0.0918 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 16 18 1 0 18 19 2 0 7 20 1 0 20 21 2 0 20 22 1 0 5 23 1 0 23 24 2 0 24 2 1 0 19 13 1 0 1 25 1 0 1 26 1 0 1 27 1 0 3 28 1 0 4 29 1 0 7 30 1 0 8 31 1 0 8 32 1 0 9 33 1 0 9 34 1 0 10 35 1 0 10 36 1 0 11 37 1 0 11 38 1 0 12 39 1 0 12 40 1 0 14 41 1 0 15 42 1 0 18 43 1 0 19 44 1 0 22 45 1 0 23 46 1 0 24 47 1 0 M END