HMDB0032176 RDKit 3D Benzyl hexanoate 33 33 0 0 0 0 0 0 0 0999 V2000 -5.8358 0.1355 -0.5244 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5807 0.4403 0.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4316 -0.2320 -0.4399 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1535 0.0479 0.3004 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9735 -0.6369 -0.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2696 -0.3330 0.3541 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5824 0.8669 0.5707 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1133 -1.3195 0.8382 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2981 -1.1003 1.5476 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2931 -0.3424 0.7505 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1335 -0.1155 -0.6109 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0754 0.5919 -1.3249 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2247 1.1039 -0.6987 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3781 0.8755 0.6504 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4194 0.1632 1.3467 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6210 0.8637 -0.3302 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1410 -0.9255 -0.3365 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5605 0.1565 -1.6073 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4580 1.5035 0.4501 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7406 -0.0366 1.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5981 -1.3192 -0.4814 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3107 0.1674 -1.4603 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2124 -0.4169 1.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9186 1.1008 0.4193 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9057 -0.1914 -1.4382 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1681 -1.6953 -0.5353 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1181 -0.5070 2.4932 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6721 -2.0730 1.9241 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2624 -0.4876 -1.1245 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9632 0.7754 -2.3879 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9563 1.6615 -1.2651 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2724 1.2728 1.1407 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5777 0.0054 2.4025 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 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 10 1 0 1 16 1 0 1 17 1 0 1 18 1 0 2 19 1 0 2 20 1 0 3 21 1 0 3 22 1 0 4 23 1 0 4 24 1 0 5 25 1 0 5 26 1 0 9 27 1 0 9 28 1 0 11 29 1 0 12 30 1 0 13 31 1 0 14 32 1 0 15 33 1 0 M END