HMDB0240553 RDKit 3D Piceid 3-sulfate 54 56 0 0 0 0 0 0 0 0999 V2000 -1.2834 -5.0857 1.4807 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1363 -4.1141 1.4723 S 0 0 0 0 0 6 0 0 0 0 0 0 -0.2788 -3.1045 2.5741 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3319 -4.9254 1.7413 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0073 -3.3473 -0.0399 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2860 -1.9866 -0.0467 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5804 -1.4987 -0.0605 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7861 -0.1438 -0.0666 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1506 0.3700 -0.0811 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2011 -0.4080 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5627 0.1282 -0.1031 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6436 -0.7551 -0.1106 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9481 -0.3102 -0.1243 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2416 1.0385 -0.1313 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5294 1.5105 -0.1449 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1794 1.9151 -0.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8538 1.4671 -0.1101 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7039 0.7192 -0.0589 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6275 0.2649 -0.0449 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6193 1.2158 -0.0384 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9610 0.9407 -0.0248 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5932 1.3966 -1.2126 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7977 0.7320 -1.2835 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.3942 0.7338 -2.6652 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6411 1.9979 -3.1435 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7282 1.3702 -0.2655 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.9992 0.8009 -0.2997 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1219 1.0653 1.0982 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.8990 1.5667 2.1296 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6865 1.4963 1.1877 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1269 0.8739 2.3043 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7739 -1.0894 -0.0394 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7045 -5.2145 0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3456 -2.2565 -0.0654 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2442 1.4718 -0.0854 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0975 -1.4976 -0.0843 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4271 -1.8249 -0.1052 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7727 -1.0366 -0.1298 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0562 1.7033 0.7093 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3907 2.9788 -0.1293 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0653 2.1946 -0.1049 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8833 1.7899 -0.0639 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1513 -0.1420 -0.0195 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6356 -0.3037 -0.9567 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6894 0.1952 -3.3262 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3222 0.1267 -2.6417 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8501 2.2591 -3.7139 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7429 2.4692 -0.3735 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1394 0.1544 0.4271 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1351 -0.0591 1.1863 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6987 1.0540 2.9569 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5590 2.5773 1.2955 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6027 0.0180 2.4451 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7986 -1.4920 -0.0284 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 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 2 0 8 18 2 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 23 26 1 0 26 27 1 0 26 28 1 0 28 29 1 0 28 30 1 0 30 31 1 0 19 32 2 0 32 6 1 0 17 11 1 0 30 21 1 0 4 33 1 0 7 34 1 0 9 35 1 0 10 36 1 0 12 37 1 0 13 38 1 0 15 39 1 0 16 40 1 0 17 41 1 0 18 42 1 0 21 43 1 1 23 44 1 1 24 45 1 0 24 46 1 0 25 47 1 0 26 48 1 6 27 49 1 0 28 50 1 1 29 51 1 0 30 52 1 1 31 53 1 0 32 54 1 0 M END