HMDB0250094 RDKit 3D Chlorfenethol 29 30 0 0 0 0 0 0 0 0999 V2000 0.2036 2.1811 -0.6011 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0011 1.0333 0.3558 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0227 1.4967 1.6743 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1834 0.1312 0.2427 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4215 0.7331 0.1288 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5621 -0.0414 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4814 -1.4175 0.0016 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9371 -2.4135 -0.1522 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.2328 -2.0213 0.1167 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0897 -1.2430 0.2367 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2646 0.3314 0.0784 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4696 -0.3144 -1.1196 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6783 -0.9472 -1.3171 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6712 -0.9473 -0.3549 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2182 -1.7561 -0.6058 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.4792 -0.3023 0.8533 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2684 0.3180 1.0213 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5186 1.8121 -1.5854 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8924 2.9430 -0.1694 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7825 2.7090 -0.7329 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8821 1.5355 2.0166 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5576 1.8073 0.1296 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5563 0.4061 -0.0822 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1590 -3.0999 0.1114 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0967 -1.6623 0.3285 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6889 -0.3270 -1.8987 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8497 -1.4612 -2.2562 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2646 -0.3161 1.5837 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1176 0.8325 1.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 2 0 2 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 2 0 10 4 1 0 17 11 1 0 1 18 1 0 1 19 1 0 1 20 1 0 3 21 1 0 5 22 1 0 6 23 1 0 9 24 1 0 10 25 1 0 12 26 1 0 13 27 1 0 16 28 1 0 17 29 1 0 M END