HMDB0013682 RDKit 3D Coniferin 46 47 0 0 0 0 0 0 0 0999 V2000 1.1304 -3.4270 -2.0298 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4325 -2.3885 -1.3684 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1418 -1.4506 -0.6475 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4924 -1.4977 -0.5556 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2051 -0.5397 0.1797 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6405 -0.6750 0.2177 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4229 0.1387 0.8586 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9214 -0.0305 0.8788 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3704 -0.1984 2.1726 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5075 0.4559 0.8111 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1297 0.5203 0.7289 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4520 -0.4206 0.0087 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9076 -0.4420 -0.1318 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8291 0.4595 0.4132 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6649 -0.2458 1.2396 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9425 0.2067 1.3450 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.9310 -0.5913 0.5239 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8639 -1.9133 1.0059 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0444 1.6819 1.0931 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1729 2.3186 1.9766 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6315 2.0496 -0.3059 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.7307 1.9453 -1.1518 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5094 1.1518 -0.7306 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5275 1.9843 -1.3209 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6615 -4.0760 -1.2869 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4674 -4.0848 -2.5989 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9121 -2.9586 -2.6652 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0141 -2.3081 -1.0738 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1086 -1.4978 -0.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0207 0.9687 1.4014 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1901 -0.8809 0.2151 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3435 0.8986 0.4672 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5521 0.6844 2.5526 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0589 1.1959 1.3792 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6338 1.3183 1.2408 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3351 1.2470 1.0091 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2613 0.0558 2.4206 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9520 -0.2450 0.7152 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7348 -0.5785 -0.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9124 -2.1979 1.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0588 2.0678 1.2919 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3282 3.2940 2.0206 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3383 3.1280 -0.2935 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5080 2.0958 -2.0932 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7892 0.4288 -1.5246 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8361 2.3521 -2.1775 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 5 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 16 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 12 3 1 0 23 14 1 0 1 25 1 0 1 26 1 0 1 27 1 0 4 28 1 0 6 29 1 0 7 30 1 0 8 31 1 0 8 32 1 0 9 33 1 0 10 34 1 0 11 35 1 0 14 36 1 1 16 37 1 1 17 38 1 0 17 39 1 0 18 40 1 0 19 41 1 1 20 42 1 0 21 43 1 1 22 44 1 0 23 45 1 6 24 46 1 0 M END