HMDB0034723 RDKit 3D Encelin 34 36 0 0 0 0 0 0 0 0999 V2000 3.6467 0.1872 -1.3797 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9023 0.0304 -0.3068 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3818 0.2025 1.0583 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5158 0.5444 1.4827 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3109 -0.0917 1.8938 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3630 -0.8605 1.1759 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0194 -0.7012 1.7967 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0723 -0.3665 0.8252 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3021 0.0163 1.6524 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4294 -1.5887 0.0745 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8706 -1.6240 -1.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0356 -0.3691 -1.9014 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4529 -0.3653 -3.0838 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6919 0.8595 -1.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2253 2.0028 -1.5906 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7585 0.8183 -0.0375 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6623 0.8980 -0.4791 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4660 -0.3410 -0.2269 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2255 0.0433 -2.3672 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6910 0.4606 -1.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7215 -1.9100 1.1832 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0393 0.0624 2.6056 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2569 -1.6643 2.2849 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9335 0.7278 2.4373 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0429 0.5622 1.0581 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7145 -0.8571 2.1845 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3188 -2.5280 0.5902 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1149 -2.5701 -1.6575 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9045 2.0370 -2.4287 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9990 2.9352 -1.0936 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9778 1.7287 0.5744 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1878 1.7730 -0.0435 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6719 1.0704 -1.5857 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2963 -1.1222 -1.0019 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 2 0 3 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 8 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 2 3 14 16 1 0 16 17 1 0 17 18 1 0 18 2 1 0 18 6 1 0 16 8 1 0 1 19 1 0 1 20 1 0 6 21 1 0 7 22 1 0 7 23 1 0 9 24 1 0 9 25 1 0 9 26 1 0 10 27 1 0 11 28 1 0 15 29 1 0 15 30 1 0 16 31 1 0 17 32 1 0 17 33 1 0 18 34 1 0 M END