HMDB0033107 RDKit 3D Semilepidinoside A 44 46 0 0 0 0 0 0 0 0999 V2000 -5.0433 0.0238 2.0758 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9546 0.8639 2.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1224 0.8167 0.8425 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6659 -0.4965 0.6865 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9510 -0.6313 -0.5166 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9304 0.2871 -0.6400 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4222 0.0439 -0.7267 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2822 1.1353 -0.8476 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6421 0.9834 -0.9397 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2294 -0.2554 -0.9174 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6701 -0.5137 -1.0097 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3586 -0.5484 0.2998 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8812 0.5461 0.8803 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4481 0.2430 2.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2557 -1.1148 2.1986 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5955 -1.5667 1.1217 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3733 -1.3297 -0.7977 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9936 -1.1995 -0.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9172 -0.5552 -1.7059 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4143 0.3570 -2.6518 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2127 0.0185 -1.1758 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7653 -0.9792 -0.3433 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8709 1.2565 -0.3741 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0146 1.9952 -0.0805 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8819 0.4834 1.7845 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3300 1.9102 2.2447 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3126 0.5910 2.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2348 1.4699 1.0186 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5502 -1.6582 -0.4934 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8338 2.1342 -0.8674 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2847 1.8534 -1.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8063 -1.4564 -1.5804 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1367 0.2827 -1.6196 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9448 0.9437 2.7371 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6018 -1.6886 3.0622 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3015 -2.5513 0.9314 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7633 -2.3394 -0.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3530 -2.0672 -0.6099 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1220 -1.5321 -2.1413 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7689 0.9908 -2.2498 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9064 0.2567 -2.0118 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2783 -1.6301 -0.8566 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1561 1.8538 -1.0107 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7743 2.7735 0.4499 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 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 10 17 1 0 17 18 2 0 5 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 23 3 1 0 18 7 1 0 16 12 1 0 1 25 1 0 2 26 1 0 2 27 1 0 3 28 1 0 5 29 1 0 8 30 1 0 9 31 1 0 11 32 1 0 11 33 1 0 14 34 1 0 15 35 1 0 16 36 1 0 17 37 1 0 18 38 1 0 19 39 1 0 20 40 1 0 21 41 1 0 22 42 1 0 23 43 1 0 24 44 1 0 M END