HMDB0037112 RDKit 3D Acifluorfen 31 32 0 0 0 0 0 0 0 0999 V2000 -3.5903 2.6859 0.4567 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1660 1.5365 0.2099 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4909 1.5627 0.0238 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2351 0.4159 0.1787 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8750 0.6205 0.2915 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9091 -0.3822 0.2226 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3552 -0.1626 0.3328 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6009 0.0273 0.2007 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4990 -0.7950 0.9111 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8507 -0.6717 0.8337 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3852 0.3217 0.0092 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8542 0.4500 -0.0495 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3106 0.8041 1.2294 F 0 0 0 0 0 0 0 0 0 0 0 0 6.2154 1.3556 -0.9965 F 0 0 0 0 0 0 0 0 0 0 0 0 6.3685 -0.8321 -0.3023 F 0 0 0 0 0 0 0 0 0 0 0 0 3.5265 1.1270 -0.6834 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1600 1.0001 -0.6055 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1185 2.0845 -1.5486 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4107 -1.6788 0.0228 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7518 -1.9075 -0.0897 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6831 -0.8623 -0.0131 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0466 -1.2314 -0.1437 N 0 0 0 0 0 4 0 0 0 0 0 0 -5.9642 -0.7071 0.4858 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4098 -2.2866 -0.9897 O 0 0 0 0 0 1 0 0 0 0 0 0 -5.9444 2.3137 -0.5169 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5181 1.6166 0.4537 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1015 -1.5740 1.5627 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5331 -1.3067 1.3698 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9773 1.8946 -1.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6945 -2.5024 -0.0484 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1670 -2.9162 -0.2388 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 12 14 1 0 12 15 1 0 11 16 1 0 16 17 2 0 17 18 1 0 6 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 22 24 1 0 21 4 1 0 17 8 1 0 3 25 1 0 5 26 1 0 9 27 1 0 10 28 1 0 16 29 1 0 19 30 1 0 20 31 1 0 M CHG 2 22 1 24 -1 M END