HMDB0244952 RDKit 3D Nonoxinol 47 47 0 0 0 0 0 0 0 0999 V2000 6.2132 2.3781 -0.2461 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4308 0.9461 -0.5983 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9534 -0.0259 0.4396 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4762 0.0813 0.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6542 -0.1811 -0.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1619 -0.0657 -0.2316 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7038 -1.0347 0.8004 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2343 -0.8686 1.0598 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5299 -1.1186 -0.2177 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9956 -0.9814 0.0252 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5904 0.2346 -0.1233 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9481 0.3539 0.1033 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6771 -0.7514 0.4727 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0126 -0.7644 0.7171 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8824 0.2924 0.6059 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1005 0.8436 -0.7703 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0137 1.9181 -0.6742 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0267 -1.9979 0.6181 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6943 -2.1176 0.3969 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8908 2.9353 -1.1741 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1533 2.8929 0.0755 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4716 2.5552 0.5412 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9752 0.7195 -1.5892 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5213 0.7824 -0.7232 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5052 0.0782 1.3707 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1315 -1.0470 0.0429 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2555 -0.7443 1.4411 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1847 1.0185 1.2271 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8942 0.6252 -1.2392 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8963 -1.1418 -0.9868 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6718 -0.3513 -1.2065 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9163 0.9770 -0.0226 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2733 -0.9735 1.7523 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8862 -2.0915 0.4425 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0977 -1.5769 1.8486 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0758 0.1740 1.4338 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2562 -2.0996 -0.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2820 -0.3143 -0.9685 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0559 1.1355 -0.4144 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4223 1.3320 0.0117 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8759 -0.0218 1.0216 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5864 1.1505 1.2851 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6840 0.0732 -1.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2020 1.1413 -1.2945 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8529 1.5455 -0.3476 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5950 -2.8714 0.9096 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1492 -3.0436 0.4935 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 1 0 8 9 1 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 15 16 1 0 16 17 1 0 13 18 1 0 18 19 2 0 19 10 1 0 1 20 1 0 1 21 1 0 1 22 1 0 2 23 1 0 2 24 1 0 3 25 1 0 3 26 1 0 4 27 1 0 4 28 1 0 5 29 1 0 5 30 1 0 6 31 1 0 6 32 1 0 7 33 1 0 7 34 1 0 8 35 1 0 8 36 1 0 9 37 1 0 9 38 1 0 11 39 1 0 12 40 1 0 15 41 1 0 15 42 1 0 16 43 1 0 16 44 1 0 17 45 1 0 18 46 1 0 19 47 1 0 M END