HMDB0038423 RDKit 3D Gluconasturtiin 48 49 0 0 0 0 0 0 0 0999 V2000 4.6196 -3.3918 2.1434 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2132 -3.3585 2.7218 S 0 0 0 0 0 6 0 0 0 0 0 0 3.2571 -3.1079 4.2042 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5066 -4.8242 2.3512 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4241 -2.0534 1.9761 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0965 -2.1168 1.7206 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5446 -1.3958 0.8374 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2650 -0.4403 0.0185 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7347 -0.3258 0.2288 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2459 0.7195 -0.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3123 2.0454 -0.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7766 3.0055 -1.2445 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1884 2.6429 -2.5064 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1315 1.3121 -2.8901 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6597 0.3683 -1.9937 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2169 -1.5679 0.5898 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.8167 -0.4681 -0.7039 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7354 0.8634 -0.4061 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6115 1.3548 0.5112 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1615 2.6827 -0.0262 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8122 2.5224 -1.2285 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7647 0.5113 0.8937 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4583 -0.1527 2.0949 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2519 -0.4591 -0.1279 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5832 -1.6512 0.5288 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2035 -0.8117 -1.1565 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2339 -2.1519 -1.5120 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4904 -5.3570 3.1934 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8223 0.5795 0.2469 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0629 -0.5875 -1.0874 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0231 0.0376 1.2232 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2286 -1.2889 -0.0469 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9884 2.3263 0.6157 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8012 4.0232 -0.8998 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5492 3.4221 -3.1682 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4595 1.0400 -3.8899 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6146 -0.6570 -2.2868 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1474 -0.6383 -1.5983 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0331 1.6455 1.4307 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3913 3.4611 -0.0388 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9221 2.9985 0.7379 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1650 2.4066 -1.9769 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6499 1.1648 1.1558 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5301 0.4955 2.8519 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1613 -0.1069 -0.6397 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9428 -1.8241 1.2714 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4073 -0.2115 -2.0812 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8159 -2.6806 -0.9316 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 2 0 2 4 1 0 2 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 7 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 19 22 1 0 22 23 1 0 22 24 1 0 24 25 1 0 24 26 1 0 26 27 1 0 15 10 1 0 26 17 1 0 4 28 1 0 8 29 1 0 8 30 1 0 9 31 1 0 9 32 1 0 11 33 1 0 12 34 1 0 13 35 1 0 14 36 1 0 15 37 1 0 17 38 1 0 19 39 1 0 20 40 1 0 20 41 1 0 21 42 1 0 22 43 1 0 23 44 1 0 24 45 1 0 25 46 1 0 26 47 1 0 27 48 1 0 M END