HMDB0060492 RDKit 3D N-acetyl-O-acetylneuraminate 45 45 0 0 0 0 0 0 0 0999 V2000 5.9525 0.3675 -0.0424 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6448 -0.3063 0.2452 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3447 -1.3828 -0.3093 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7872 0.2807 1.1265 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5490 -0.1726 1.5144 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4867 -0.2684 0.4509 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8350 -1.1254 -0.5435 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2038 -0.6215 1.1535 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0257 0.3299 2.1352 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9790 -0.7216 0.2314 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8177 -1.6491 -0.7682 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0854 -1.9887 -1.2421 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9635 -2.2762 -0.1845 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0732 -3.1540 -2.1338 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7409 -4.2053 -1.9541 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2672 -3.1049 -3.2658 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6076 -0.7792 -1.9909 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6406 0.4433 -1.1382 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8987 1.5409 -1.9623 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4090 0.6392 -0.2980 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7917 1.4157 0.8622 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3404 2.5583 1.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8136 3.2465 2.3711 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4076 3.1650 0.3463 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7688 1.4666 -0.2109 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4196 -0.0385 -0.9487 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6152 0.2140 0.8107 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6931 -1.2327 1.9029 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1533 0.3566 2.4309 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4298 0.7668 0.0056 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3223 -0.8651 -1.3724 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3306 -1.5939 1.6422 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5021 -0.1105 2.8721 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8335 -1.0707 0.8674 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7197 -2.7792 -0.5532 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2696 -3.1229 -3.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0238 -0.6662 -2.9278 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6522 -1.0171 -2.2894 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5146 0.3490 -0.4462 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0169 1.8747 -2.2797 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5853 1.1235 -0.8668 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1830 4.1093 2.6508 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8660 3.5806 2.2583 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7318 2.5287 3.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2240 3.8963 0.6634 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 0 8 9 1 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 1 12 14 1 0 14 15 2 0 14 16 1 0 12 17 1 0 17 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 21 22 2 3 22 23 1 0 22 24 1 0 20 10 1 0 1 25 1 0 1 26 1 0 1 27 1 0 5 28 1 0 5 29 1 0 6 30 1 6 7 31 1 0 8 32 1 0 9 33 1 0 10 34 1 1 13 35 1 0 16 36 1 0 17 37 1 0 17 38 1 0 18 39 1 1 19 40 1 0 20 41 1 6 23 42 1 0 23 43 1 0 23 44 1 0 24 45 1 0 M END