HMDB0245680 RDKit 3D 2-Deoxy-2,3-dehydro-n-acetyl-neuraminic acid 37 37 0 0 0 0 0 0 0 0999 V2000 3.6110 -2.7469 -0.4378 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1805 -1.4167 0.0429 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9183 -0.8089 0.8515 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9715 -0.8668 -0.4080 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5656 0.4339 0.0716 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5824 1.3620 -1.1057 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7223 0.6563 -2.3252 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4134 2.2244 -1.2484 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5433 2.3539 -0.3622 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6632 3.2405 -0.6041 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8048 3.9263 -1.6330 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6765 3.3625 0.3612 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4318 1.6148 0.7946 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2768 0.4076 0.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6647 -0.6833 0.3205 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0829 -0.4136 -0.9825 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9309 -0.7187 1.1802 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6506 -0.9798 2.5024 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9642 -1.6316 0.6169 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1309 -1.4837 1.3407 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7688 -3.3382 -0.8713 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3528 -2.6371 -1.2746 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1149 -3.3354 0.3644 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3951 -1.4129 -1.0801 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3552 0.7830 0.7667 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4877 2.0395 -1.0907 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0905 0.9558 -3.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3295 2.8027 -2.1582 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5573 4.0723 1.0864 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4652 0.1789 1.8984 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1802 -1.6732 0.2973 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7928 0.2741 -0.9262 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3649 0.3235 1.1504 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3572 -1.8962 2.6462 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1301 -1.4457 -0.4459 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6330 -2.6835 0.7404 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0421 -0.8397 2.0964 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 2 0 9 10 1 0 10 11 2 0 10 12 1 0 9 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 14 5 1 0 1 21 1 0 1 22 1 0 1 23 1 0 4 24 1 0 5 25 1 0 6 26 1 0 7 27 1 0 8 28 1 0 12 29 1 0 14 30 1 0 15 31 1 0 16 32 1 0 17 33 1 0 18 34 1 0 19 35 1 0 19 36 1 0 20 37 1 0 M END