HMDB0061839 RDKit 3D Ethylhexyl salicylate 40 40 0 0 0 0 0 0 0 0999 V2000 -4.9416 0.4100 -0.5676 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9617 -0.6345 -0.9799 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4122 -1.4636 0.0996 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7244 -0.9154 1.2525 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4677 -0.1027 1.1174 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5995 1.1698 0.3619 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2925 1.9540 0.2953 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3340 -0.9493 0.6467 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9172 -0.2933 0.5118 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0205 -0.9839 0.0647 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7949 -2.2149 -0.2103 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3703 -0.4767 -0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3584 -1.3523 -0.6065 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6398 -0.9270 -0.8111 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9821 0.3790 -0.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0398 1.2652 -0.0638 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7626 0.8057 0.1307 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8326 1.7097 0.6118 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4416 1.3471 -0.1846 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7299 0.0634 0.0987 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4617 0.7589 -1.5081 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2440 -0.2393 -1.6976 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6107 -1.3246 -1.6741 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3046 -2.0681 0.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7965 -2.3121 -0.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4282 -1.7476 1.9912 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4431 -0.3212 1.9176 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2061 0.1925 2.1843 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9530 1.1316 -0.6604 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3150 1.8808 0.8838 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2079 1.9771 1.2848 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5638 3.0383 0.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3427 1.6834 -0.5485 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5969 -1.2759 -0.4043 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2378 -1.9018 1.2079 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0598 -2.3970 -0.8164 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3950 -1.5944 -1.1818 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0007 0.7467 -0.6958 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3153 2.3143 0.1531 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0270 2.6681 0.8247 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 1 0 5 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 17 12 1 0 1 19 1 0 1 20 1 0 1 21 1 0 2 22 1 0 2 23 1 0 3 24 1 0 3 25 1 0 4 26 1 0 4 27 1 0 5 28 1 0 6 29 1 0 6 30 1 0 7 31 1 0 7 32 1 0 7 33 1 0 8 34 1 0 8 35 1 0 13 36 1 0 14 37 1 0 15 38 1 0 16 39 1 0 18 40 1 0 M END