HMDB0033834 RDKit 3D Ethyl cinnamate 25 25 0 0 0 0 0 0 0 0999 V2000 4.7596 -0.6735 0.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2851 -0.9528 0.2757 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6408 0.3206 0.1093 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2287 0.3521 -0.0404 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6968 -0.7506 -0.0105 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5558 1.6034 -0.2071 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6964 1.7776 -0.2865 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7273 0.7820 -0.2067 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8760 0.9271 -1.0276 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9658 0.1202 -0.9411 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0284 -0.9106 -0.0341 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9426 -1.0860 0.7798 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8194 -0.2457 0.6852 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8801 -0.1260 1.3921 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1225 0.0142 -0.3794 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3493 -1.6047 0.4832 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0507 -1.6363 -0.5626 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9536 -1.4422 1.2159 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1851 2.5485 -0.2777 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0502 2.8493 -0.4395 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8520 1.7333 -1.7518 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8284 0.2568 -1.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9140 -1.5449 0.0144 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9507 -1.8823 1.5047 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0569 -0.4293 1.4349 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 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 8 1 0 1 14 1 0 1 15 1 0 1 16 1 0 2 17 1 0 2 18 1 0 6 19 1 0 7 20 1 0 9 21 1 0 10 22 1 0 11 23 1 0 12 24 1 0 13 25 1 0 M END