HMDB0253492 RDKit 3D inositol 1,3,4,5,6-pentakisphosphate 49 49 0 0 0 0 0 0 0 0999 V2000 3.8191 3.7726 -1.3352 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0139 2.5158 -1.5564 P 0 0 0 0 0 5 0 0 0 0 0 0 1.6524 2.9473 -2.4623 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8867 1.3512 -2.4180 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5114 1.8529 -0.0974 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3197 1.2036 -0.1811 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2503 1.7161 0.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2392 3.0732 0.9018 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0696 1.1890 0.1605 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1371 1.7324 0.8261 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0754 2.6674 -0.2496 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.2455 3.1925 -1.3864 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3193 1.6488 -0.8084 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7354 3.9915 0.5563 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0755 -0.3101 0.2308 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2761 -0.7685 1.5167 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7164 -1.6536 1.6739 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.5566 -1.5552 0.4177 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3849 -3.2884 1.9655 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5903 -1.0671 2.9929 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1412 -0.8892 -0.4316 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1201 -2.2719 -0.3111 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0158 -2.9990 -1.8264 P 0 0 0 0 0 5 0 0 0 0 0 0 0.2331 -1.9934 -2.9314 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1979 -4.2065 -2.0026 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5233 -3.7202 -2.0132 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4211 -0.2912 0.1268 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3807 -0.4442 1.4832 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6439 -1.3149 2.1439 P 0 0 0 0 0 5 0 0 0 0 0 0 2.3777 -1.4110 3.6482 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7163 -2.8965 1.5542 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1375 -0.6005 1.9485 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8930 3.0988 -3.4158 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6643 1.8031 -2.8278 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9481 1.2690 -1.2354 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3483 1.2111 1.7393 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0041 3.2771 1.8411 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0676 1.4796 -0.9007 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7837 1.3246 0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0246 3.7602 1.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9610 -0.6690 -0.3712 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8490 -3.8726 1.3048 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8041 -0.1224 2.9221 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0827 -0.6203 -1.5142 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4475 -4.3390 -2.9509 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6353 -4.2890 -1.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2808 -0.7593 -0.3706 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6571 -3.2027 1.5973 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4353 -0.5221 1.0183 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 2 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 11 14 1 0 9 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 17 20 1 0 15 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 23 26 1 0 21 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 29 32 1 0 27 6 1 0 3 33 1 0 4 34 1 0 6 35 1 0 7 36 1 0 8 37 1 0 9 38 1 0 13 39 1 0 14 40 1 0 15 41 1 0 19 42 1 0 20 43 1 0 21 44 1 0 25 45 1 0 26 46 1 0 27 47 1 0 31 48 1 0 32 49 1 0 M END