HMDB0000830 RDKit 3D Neuraminic acid 35 35 0 0 0 0 0 0 0 0999 V2000 -0.8719 -2.0808 -1.3726 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1923 -1.4161 -0.2314 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1622 -1.4730 0.9390 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5190 -1.5111 2.1611 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2381 -0.4366 0.8361 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7212 0.9033 0.3632 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1784 1.1593 -0.9290 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2475 2.0129 1.2099 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9711 2.0117 2.4309 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0252 3.0416 0.7114 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3318 0.9057 0.3254 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0858 -0.0040 -0.6194 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4127 0.2940 -1.2088 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8557 -0.6986 -2.0774 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4731 0.8588 -0.3426 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4766 1.4255 -1.2072 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1939 -0.0706 0.5666 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3589 -0.6404 1.5086 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1771 -2.6221 -1.9277 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6728 -2.6430 -1.0304 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7122 -1.9943 -0.0188 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6801 -2.4733 0.8393 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8066 -2.2315 2.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0362 -0.7775 0.1582 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6757 -0.2988 1.8438 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1183 1.4503 -0.8567 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6706 3.5710 -0.0649 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6531 0.1804 -1.5009 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2225 1.1737 -1.9692 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1459 -0.7828 -2.7912 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0797 1.7407 0.1987 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0346 1.8345 -1.9899 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0133 0.4202 1.1357 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7065 -0.8703 -0.0461 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1779 0.0413 2.2055 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 3 5 1 0 5 6 1 0 6 7 1 6 6 8 1 0 8 9 2 0 8 10 1 0 6 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 13 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 12 2 1 0 1 19 1 0 1 20 1 0 2 21 1 1 3 22 1 6 4 23 1 0 5 24 1 0 5 25 1 0 7 26 1 0 10 27 1 0 12 28 1 6 13 29 1 6 14 30 1 0 15 31 1 1 16 32 1 0 17 33 1 0 17 34 1 0 18 35 1 0 M END