HMDB0034206 RDKit 3D Ethyl 4-methylphenoxyacetate 28 28 0 0 0 0 0 0 0 0999 V2000 4.1304 0.3940 0.4083 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7080 0.8811 0.4282 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8090 -0.0607 -0.1203 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9126 -0.5102 -1.4345 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8697 -0.0126 -2.0973 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9882 -1.4997 -2.0469 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0209 -1.8414 -1.1081 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8980 -1.0469 -0.4962 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0443 0.3044 -0.7171 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0208 1.0206 -0.0318 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8550 0.3959 0.8748 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8837 1.1972 1.5845 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7204 -0.9411 1.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7545 -1.6308 0.4194 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6596 0.7110 1.3441 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7228 0.8115 -0.4322 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1883 -0.7136 0.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6829 1.8537 -0.1422 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3475 1.1329 1.4464 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5054 -0.9860 -2.9269 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5872 -2.3465 -2.4062 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4080 0.8098 -1.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1351 2.0915 -0.2081 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3712 2.1094 1.9588 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6783 1.4706 0.8628 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3080 0.5875 2.4069 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3735 -1.4491 1.8165 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6816 -2.7076 0.6341 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 4 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 11 13 1 0 13 14 2 0 14 8 1 0 1 15 1 0 1 16 1 0 1 17 1 0 2 18 1 0 2 19 1 0 6 20 1 0 6 21 1 0 9 22 1 0 10 23 1 0 12 24 1 0 12 25 1 0 12 26 1 0 13 27 1 0 14 28 1 0 M END