HMDB0034291 RDKit 3D Sampangine 26 29 0 0 0 0 0 0 0 0999 V2000 0.8103 -3.0924 -0.3428 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5365 -1.8709 -0.2094 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6115 -0.8856 -0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9585 -1.2427 -0.2501 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9585 -0.2973 -0.1986 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6689 1.0403 -0.0529 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3208 1.3970 0.0402 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3184 0.4547 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1093 0.8253 0.0869 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3700 2.1367 0.2288 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6637 2.5029 0.3205 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7144 1.6138 0.2767 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4357 0.2630 0.1302 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4630 -0.6620 0.0818 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1796 -2.0007 -0.0637 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8840 -2.3527 -0.1541 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8701 -1.4698 -0.1094 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1136 -0.1180 0.0358 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1740 -2.3024 -0.3649 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -0.5780 -0.2709 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4478 1.7968 -0.0108 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0935 2.4349 0.1533 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8846 3.5694 0.4362 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7426 1.9253 0.3516 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4859 -0.3317 0.1584 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9789 -2.7562 -0.1049 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 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 16 1 0 16 17 2 0 17 18 1 0 17 2 1 0 8 3 1 0 18 9 2 0 18 13 1 0 4 19 1 0 5 20 1 0 6 21 1 0 7 22 1 0 11 23 1 0 12 24 1 0 14 25 1 0 15 26 1 0 M END