HMDB0000785 RDKit 3D N-Acetyl-7-O-acetylneuraminic acid 45 45 0 0 0 0 0 0 0 0999 V2000 -0.6638 -3.9079 -1.4135 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9389 -2.7017 -0.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3645 -2.9361 0.5895 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7474 -1.3742 -1.0717 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0435 -0.2956 -0.1968 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2398 0.4590 -0.8031 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2229 -0.4083 -1.2185 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7039 1.4195 0.2678 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5409 2.3193 0.6169 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2811 3.1126 -0.4854 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9454 3.1176 1.8008 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2150 2.5510 2.8775 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0314 4.4969 1.7357 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4014 1.6073 0.9744 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0154 0.7263 -0.0213 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3865 0.2720 0.2295 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7476 -0.6224 -0.8379 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7561 -0.3219 -1.7419 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1507 -1.2135 -2.8447 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3505 0.7839 -1.5853 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7024 -0.3411 1.5448 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0830 -1.5149 1.8536 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5823 0.6079 2.7139 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2075 0.0128 3.8206 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0277 -4.5839 -0.8105 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2622 -3.6831 -2.4013 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6475 -4.4391 -1.5284 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3970 -1.2861 -2.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4003 -0.6459 0.7908 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8441 1.0861 -1.6422 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1119 -0.5736 -2.1953 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0200 0.8118 1.1374 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5109 2.0787 -0.1153 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9864 3.0688 -1.1693 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4452 5.0186 1.1185 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0370 1.3481 -0.9662 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0669 1.1439 0.1165 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8237 -2.0294 -2.4614 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2454 -1.6612 -3.2888 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7381 -0.6528 -3.5912 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8126 -0.5824 1.5011 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6612 -2.0822 2.4493 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1601 1.5180 2.4576 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5180 0.8300 2.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9483 -0.5331 3.4858 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 9 10 1 6 9 11 1 0 11 12 2 0 11 13 1 0 9 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 18 20 2 0 16 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 15 5 1 0 1 25 1 0 1 26 1 0 1 27 1 0 4 28 1 0 5 29 1 1 6 30 1 6 7 31 1 0 8 32 1 0 8 33 1 0 10 34 1 0 13 35 1 0 15 36 1 6 16 37 1 6 19 38 1 0 19 39 1 0 19 40 1 0 21 41 1 6 22 42 1 0 23 43 1 0 23 44 1 0 24 45 1 0 M END