HMDB0032266 RDKit 3D Ethyl (E)-3-hexenoate 24 23 0 0 0 0 0 0 0 0999 V2000 -3.0571 0.5817 -0.3137 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0408 -0.8309 -0.7191 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9399 -1.7155 -0.4589 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8247 -1.4569 0.1356 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3147 -0.2372 0.7228 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9714 0.1263 0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3568 -0.6102 -0.9004 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6701 1.2404 0.3550 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8838 1.6229 -0.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8667 0.4843 -0.0937 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3238 1.1645 -0.9012 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0515 1.0786 -0.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1068 0.7680 0.7581 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9521 -1.3080 -0.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3992 -0.9337 -1.8169 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1000 -2.7980 -0.8438 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1182 -2.3495 0.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8784 0.6687 0.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0856 -0.4688 1.7818 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2446 2.5786 0.1074 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6864 1.7566 -1.3904 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7071 0.9009 0.5207 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2318 0.1175 -1.0663 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.3805 0.4395 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 10 1 0 1 11 1 0 1 12 1 0 1 13 1 0 2 14 1 0 2 15 1 0 3 16 1 0 4 17 1 0 5 18 1 0 5 19 1 0 9 20 1 0 9 21 1 0 10 22 1 0 10 23 1 0 10 24 1 0 M END