HMDB0240554 RDKit 3D Piceid 4'-sulfate 54 56 0 0 0 0 0 0 0 0999 V2000 7.9192 2.1139 -1.0260 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4030 2.5084 0.3422 S 0 0 0 0 0 6 0 0 0 0 0 0 9.8602 2.1618 0.4606 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1492 4.1530 0.5037 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5424 1.6806 1.5682 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2803 1.1679 1.2189 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1695 -0.1074 0.7131 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9207 -0.6138 0.3678 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7728 0.1203 0.5138 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4790 -0.4218 0.1493 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2343 -1.6064 -0.3372 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9427 -2.1527 -0.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8953 -3.4360 -1.2042 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3076 -4.0120 -1.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3014 -5.3067 -2.0701 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4823 -3.2749 -1.4272 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4617 -1.9897 -0.9285 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6161 -1.3140 -0.8061 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8913 -0.0270 -0.3417 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7125 -0.1672 0.7740 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5607 0.9081 0.9638 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.2908 0.6691 2.2783 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4158 0.5744 3.3467 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5862 1.0647 -0.1060 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.9831 2.3856 -0.3105 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0358 0.5400 -1.4029 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.2896 -0.8270 -1.4962 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5459 0.8272 -1.4100 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3649 2.1810 -1.1336 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2518 -1.4471 -0.5739 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9076 1.3903 1.0204 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1459 1.9061 1.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1801 4.3097 0.4746 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0802 -0.6812 0.6006 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9269 -1.6188 -0.0196 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6079 0.2319 0.2971 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1049 -2.2479 -0.4804 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8145 -4.0356 -1.3255 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4024 -6.0486 -1.3697 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3926 -3.7742 -1.7292 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9489 0.4616 -0.0382 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0248 1.8749 1.0879 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8822 -0.2834 2.2494 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0290 1.4731 2.4941 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8599 0.8826 4.1734 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5259 0.5165 0.1955 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3601 2.7436 0.5301 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5125 1.0972 -2.2396 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1903 -1.1692 -2.4006 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1458 0.6312 -2.4103 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0463 2.7505 -1.5678 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1834 -0.4467 -0.1794 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0201 2.0034 1.1509 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2447 2.9061 1.7661 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 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 14 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 21 24 1 0 24 25 1 0 24 26 1 0 26 27 1 0 26 28 1 0 28 29 1 0 17 30 2 0 9 31 1 0 31 32 2 0 32 6 1 0 30 12 1 0 28 19 1 0 4 33 1 0 7 34 1 0 8 35 1 0 10 36 1 0 11 37 1 0 13 38 1 0 15 39 1 0 16 40 1 0 19 41 1 1 21 42 1 1 22 43 1 0 22 44 1 0 23 45 1 0 24 46 1 1 25 47 1 0 26 48 1 6 27 49 1 0 28 50 1 6 29 51 1 0 30 52 1 0 31 53 1 0 32 54 1 0 M END