HMDB0256342 RDKit 3D Perifosine 83 83 0 0 0 0 0 0 0 0999 V2000 11.8709 -0.8160 0.1202 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1136 -0.2210 1.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6541 -0.3511 1.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2278 0.5335 -0.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9052 0.0169 -0.6716 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7407 -0.0773 0.1994 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9678 1.0787 0.6805 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4201 1.8139 -0.6124 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7256 0.7987 -1.4273 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5029 0.1193 -1.1482 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1664 -0.4585 0.1728 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9405 -1.4010 -0.0587 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8318 -0.8505 -0.7884 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0794 0.2998 -0.3042 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5374 -0.0020 1.0728 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4708 1.2032 1.3037 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5628 1.1093 0.3386 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5159 -0.0650 0.5941 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4827 -0.9022 -0.5353 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9236 -0.8656 -1.3581 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.5632 -1.4616 -2.7751 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1910 0.8289 -1.8037 O 0 0 0 0 0 1 0 0 0 0 0 0 -6.3241 -1.4575 -0.9427 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0339 -0.9695 0.1108 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4268 0.4697 -0.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6100 0.9710 0.4894 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7463 0.0656 0.4286 N 0 0 0 0 0 4 0 0 0 0 0 0 -10.8357 0.6602 1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1730 -0.0721 -0.9310 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3396 -1.1490 1.0711 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2470 -1.8203 0.2941 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7307 -0.2310 -0.1274 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1274 -1.8731 0.4201 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1488 -0.9534 -0.7082 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3916 -0.8085 2.2074 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4551 0.8058 1.5147 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1061 0.0507 1.9141 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4027 -1.3953 0.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9568 0.5418 -0.9603 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1091 1.5652 0.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6277 0.8461 -1.4574 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0593 -0.8955 -1.3131 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1008 -0.9807 -0.0587 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2021 -0.5076 1.1992 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6029 1.7959 1.1893 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1440 0.7794 1.3233 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6701 2.5005 -0.1751 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2117 2.3768 -1.0767 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5390 1.3581 -2.4463 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5079 0.0388 -1.8304 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6202 0.7643 -1.5264 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4818 -0.7813 -1.8943 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9455 -1.1247 0.5188 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8234 0.3074 0.8665 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5627 -1.6138 1.0088 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2943 -2.3874 -0.4198 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0891 -0.7195 -1.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0504 -1.7042 -0.9142 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7897 1.1798 -0.0338 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6599 0.6781 -0.9774 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2400 -0.0293 1.8516 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1227 -0.9166 1.0561 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8692 1.1173 2.3175 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8704 2.1552 1.1957 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1818 0.9962 -0.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1800 2.0610 0.3527 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4744 0.2923 0.9149 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1049 -0.7055 1.4456 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4015 -0.9103 1.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5141 0.6330 -1.3303 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5560 1.1001 0.1004 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9409 1.9429 0.0406 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3920 1.1992 1.5417 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7073 0.3351 2.2302 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7852 0.2123 0.8058 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8266 1.7736 1.0781 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4940 0.4651 -1.6517 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2752 -1.0989 -1.2781 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1711 0.4273 -1.1073 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9087 -0.8733 2.0529 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1625 -1.8893 1.1727 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9441 -2.7342 0.8352 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6113 -2.1948 -0.6996 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 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 20 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 27 29 1 0 27 30 1 0 30 31 1 0 31 24 1 0 1 32 1 0 1 33 1 0 1 34 1 0 2 35 1 0 2 36 1 0 3 37 1 0 3 38 1 0 4 39 1 0 4 40 1 0 5 41 1 0 5 42 1 0 6 43 1 0 6 44 1 0 7 45 1 0 7 46 1 0 8 47 1 0 8 48 1 0 9 49 1 0 9 50 1 0 10 51 1 0 10 52 1 0 11 53 1 0 11 54 1 0 12 55 1 0 12 56 1 0 13 57 1 0 13 58 1 0 14 59 1 0 14 60 1 0 15 61 1 0 15 62 1 0 16 63 1 0 16 64 1 0 17 65 1 0 17 66 1 0 18 67 1 0 18 68 1 0 24 69 1 0 25 70 1 0 25 71 1 0 26 72 1 0 26 73 1 0 28 74 1 0 28 75 1 0 28 76 1 0 29 77 1 0 29 78 1 0 29 79 1 0 30 80 1 0 30 81 1 0 31 82 1 0 31 83 1 0 M CHG 2 22 -1 27 1 M END