HMDB0033967 RDKit 3D Ethyl benzoate 21 21 0 0 0 0 0 0 0 0999 V2000 3.4697 -0.7602 -0.3711 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8600 0.3414 0.4617 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5076 0.5588 0.1685 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5171 -0.3928 0.3006 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8122 -1.5296 0.7047 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8723 -0.0540 -0.0365 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1930 1.2099 -0.4845 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5206 1.5199 -0.8024 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5171 0.6001 -0.6812 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2015 -0.6644 -0.2339 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8919 -0.9666 0.0785 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0781 -0.7611 -1.3922 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2292 -1.7205 0.1617 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5784 -0.6639 -0.3126 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0603 0.1106 1.5238 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4040 1.2840 0.1779 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4138 1.9662 -0.5908 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7433 2.5181 -1.1511 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5620 0.8005 -0.9178 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9729 -1.4419 -0.1197 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6281 -1.9547 0.4309 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 6 1 0 1 12 1 0 1 13 1 0 1 14 1 0 2 15 1 0 2 16 1 0 7 17 1 0 8 18 1 0 9 19 1 0 10 20 1 0 11 21 1 0 M END