HMDB0253395 RDKit 3D Ilaprazole sulfone 45 48 0 0 0 0 0 0 0 0999 V2000 8.1943 0.1411 -0.1904 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9056 0.4813 0.1523 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7410 -0.2441 0.0512 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6312 -1.5389 -0.4389 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4458 -2.2072 -0.5153 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3233 -1.5410 -0.0741 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3080 -0.3216 0.4041 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2648 0.4272 1.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8778 1.1167 0.4806 S 0 0 0 0 0 6 0 0 0 0 0 0 0.3925 2.1953 1.5106 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3244 2.0965 -0.7395 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5292 0.4166 -0.1975 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9171 0.1214 -1.4621 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2303 -0.2036 -1.4243 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2076 -0.4426 -2.3773 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5521 -0.5738 -1.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9462 -0.4754 -0.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2662 -0.4362 -0.1956 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.8465 -1.2411 0.6809 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1294 -0.7661 1.0072 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2912 0.3701 0.2854 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1324 0.5530 -0.4454 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9603 -0.2436 0.2608 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6333 -0.1134 -0.1184 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6220 0.2518 0.6534 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5666 0.3497 0.4683 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6183 1.8013 0.8671 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5961 0.9499 -0.9066 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9051 0.1944 0.6437 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2729 -0.7795 -0.8103 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5359 -2.0237 -0.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3738 -3.2342 -0.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6463 0.9121 2.0736 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7784 -0.5339 1.7786 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9434 -0.5096 -3.4039 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2675 -0.7161 -2.7793 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 -2.1563 1.1201 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7765 -1.2371 1.6962 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1242 1.0373 0.2654 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9276 1.3730 -1.1273 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2602 -0.1900 1.3021 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6195 0.3821 1.6848 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5083 2.0911 1.4141 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7359 2.1284 1.4246 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6668 2.3389 -0.1207 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 2 0 9 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 17 23 1 0 23 24 2 0 24 25 1 0 7 26 2 0 26 27 1 0 26 3 1 0 25 12 1 0 24 14 1 0 22 18 1 0 1 28 1 0 1 29 1 0 1 30 1 0 4 31 1 0 5 32 1 0 8 33 1 0 8 34 1 0 15 35 1 0 16 36 1 0 19 37 1 0 20 38 1 0 21 39 1 0 22 40 1 0 23 41 1 0 25 42 1 0 27 43 1 0 27 44 1 0 27 45 1 0 M END