HMDB0257940 RDKit 3D 9-[(2R,3R,4S,5S)-3,4-Dihydroxy-5-[(4-nitrophenyl)methylsulfanylmethyl]oxolan-... 46 49 0 0 0 0 0 0 0 0999 V2000 -7.9047 1.3475 0.7140 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7414 1.5907 0.3052 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4452 2.8486 -0.0499 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2101 3.1250 -0.4864 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2790 2.1677 -0.5715 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5100 0.8733 -0.2277 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7929 0.6017 0.2223 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8070 -0.7276 0.5049 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5846 -1.2166 0.2322 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7833 -0.2481 -0.2155 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3848 -0.2826 -0.6324 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9018 -1.5637 -0.7058 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5039 -1.3400 -0.8433 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2566 -2.5931 -0.7581 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0147 -2.4279 -0.9000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.9352 -1.8694 0.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9909 -0.9082 0.1146 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9206 0.4550 0.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9962 1.2562 -0.1577 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1571 0.7187 -0.6258 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2895 1.4827 -1.0033 N 0 0 0 0 0 4 0 0 0 0 0 0 7.2859 2.7367 -0.9312 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4423 0.8950 -1.4613 O 0 0 0 0 0 1 0 0 0 0 0 0 6.2529 -0.6694 -0.7328 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1776 -1.4363 -0.3627 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1495 -0.2986 0.1216 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6587 0.6392 -0.5500 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5027 0.3774 0.3955 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9335 0.0360 1.6514 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1787 3.6218 0.0157 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9521 4.1459 -0.7775 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2491 -2.2346 0.3401 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2703 0.1774 -1.6336 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4292 -0.9589 -1.9065 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0103 -3.1817 0.1791 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1104 -3.3037 -1.5825 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3682 -1.3949 1.3167 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4491 -2.7864 0.9478 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0166 0.8880 0.6012 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9072 2.3514 -0.0709 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1811 -1.1069 -1.1032 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2551 -2.5127 -0.4504 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2265 -0.5889 1.0981 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2345 0.7857 -1.4202 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4211 1.4766 0.2408 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9606 -0.9479 1.7084 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 21 23 1 0 20 24 1 0 24 25 2 0 13 26 1 0 26 27 1 0 26 28 1 0 28 29 1 0 7 2 1 0 28 11 1 0 10 6 1 0 25 17 1 0 3 30 1 0 4 31 1 0 9 32 1 0 11 33 1 0 13 34 1 0 14 35 1 0 14 36 1 0 16 37 1 0 16 38 1 0 18 39 1 0 19 40 1 0 24 41 1 0 25 42 1 0 26 43 1 0 27 44 1 0 28 45 1 0 29 46 1 0 M CHG 2 21 1 23 -1 M END