HMDB0031827 RDKit 3D Fumonisin FP2 117117 0 0 0 0 0 0 0 0999 V2000 -6.1366 3.5189 3.7516 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2796 2.8439 2.6777 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1871 1.8780 1.9427 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4837 1.1353 0.8516 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3033 0.3116 1.3173 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7868 -0.7006 2.3017 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7422 -0.3539 0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3242 0.6258 -0.8702 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8921 0.7340 -2.1107 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8119 -0.0656 -2.3995 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5045 1.7230 -3.1406 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4886 2.6824 -2.5222 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0393 3.7314 -3.5222 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1518 4.5460 -4.0115 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9216 4.1181 -4.9175 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3811 5.8173 -3.4811 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0525 3.3813 -1.3543 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4898 3.2874 -0.2253 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1960 4.1545 -1.4349 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6425 -1.3505 0.3604 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3708 -0.7123 0.8048 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2225 -1.6326 1.0859 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4152 -2.6402 2.1489 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2502 -2.2107 -0.2282 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3923 -3.1618 -0.1043 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6363 -2.6094 0.4886 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2342 -1.4367 -0.2906 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5819 -1.8042 -1.6778 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1037 -0.7428 -2.5127 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3505 0.0137 -2.1707 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3863 -0.8991 -2.0348 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2858 1.0958 -1.2257 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4743 1.8919 -0.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1370 2.9139 0.0514 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7775 1.3895 -0.4841 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5887 0.5106 -1.3785 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6514 2.5169 -0.1219 N 0 0 0 0 0 4 0 0 0 0 0 0 9.1555 2.6109 1.0944 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9824 3.6567 1.4894 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2789 4.6372 0.5428 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7533 4.5383 -0.7248 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0517 5.5149 -1.6591 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9266 3.4482 -1.0393 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0334 -2.3298 1.2840 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1159 -3.7066 0.9981 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8022 -4.0111 -0.2077 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5147 -4.6957 1.9853 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9632 -4.9328 2.1586 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7816 -5.4149 1.0382 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9314 -4.5613 -0.1443 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6131 -3.3779 -0.1859 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4789 -5.1269 -1.3223 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2121 -5.7874 3.3934 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2482 -6.1551 4.0634 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5080 -6.1185 3.7169 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7091 4.5063 4.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1546 3.5931 3.3398 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1637 2.8114 4.5994 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4563 2.2747 3.1447 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9479 3.6311 1.9868 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9481 2.5273 1.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7669 1.2245 2.6006 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2240 1.8282 0.0238 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2404 0.3998 0.4476 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5977 1.0485 1.7623 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5916 -0.3341 2.9837 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9478 -1.0351 2.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2227 -1.5960 1.8156 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5634 -0.8982 -0.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3547 2.2560 -3.5719 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9471 1.1557 -3.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5777 2.1399 -2.2027 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4835 3.2896 -4.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3294 4.3895 -2.9469 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9270 6.6258 -3.9324 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7055 4.4860 -0.6407 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4319 -1.8624 -0.6002 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4886 -0.0725 1.7081 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9766 0.0193 0.0334 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6274 -0.9368 1.3968 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2833 -2.3740 2.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4600 -2.5729 2.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3839 -3.7016 1.8276 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6432 -1.3286 -0.8188 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5601 -2.6128 -0.8622 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1324 -4.0728 0.4874 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6140 -3.5505 -1.1306 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3941 -2.1998 1.5039 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3798 -3.3991 0.6474 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5065 -0.6197 -0.2721 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1106 -1.1293 0.3285 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1548 -2.7767 -1.7371 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5850 -2.1270 -2.1532 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2632 -1.1663 -3.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2623 -0.0002 -2.7063 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6243 0.5181 -3.1921 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4081 -1.4903 -2.8271 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5377 1.8900 -1.6843 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8126 0.8524 -0.2262 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7212 2.5951 -1.8217 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4474 2.5855 0.9257 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6994 0.8038 0.4909 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7070 -0.5375 -1.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4132 0.6507 -2.4534 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6874 0.8825 -1.2816 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9463 1.8627 1.8632 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3643 3.6895 2.4803 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9214 5.4539 0.8444 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8747 5.3790 -2.2423 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5536 3.4413 -2.0532 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0673 -4.4789 3.0033 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0755 -5.6824 1.6259 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4559 -3.9387 2.4881 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5174 -6.4654 0.7204 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8401 -5.5465 1.4475 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1960 -6.0787 -1.5132 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6880 -6.9154 4.3131 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 5 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 12 17 1 0 17 18 2 0 17 19 1 0 7 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 30 32 1 0 32 33 1 0 33 34 1 0 33 35 1 0 35 36 1 0 35 37 1 0 37 38 2 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 41 43 2 0 20 44 1 0 44 45 1 0 45 46 2 0 45 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 2 0 50 52 1 0 48 53 1 0 53 54 2 0 53 55 1 0 43 37 1 0 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 2 60 1 0 3 61 1 0 3 62 1 0 4 63 1 0 4 64 1 0 5 65 1 0 6 66 1 0 6 67 1 0 6 68 1 0 7 69 1 0 11 70 1 0 11 71 1 0 12 72 1 0 13 73 1 0 13 74 1 0 16 75 1 0 19 76 1 0 20 77 1 0 21 78 1 0 21 79 1 0 22 80 1 0 23 81 1 0 23 82 1 0 23 83 1 0 24 84 1 0 24 85 1 0 25 86 1 0 25 87 1 0 26 88 1 0 26 89 1 0 27 90 1 0 27 91 1 0 28 92 1 0 28 93 1 0 29 94 1 0 29 95 1 0 30 96 1 0 31 97 1 0 32 98 1 0 32 99 1 0 33100 1 0 34101 1 0 35102 1 0 36103 1 0 36104 1 0 36105 1 0 38106 1 0 39107 1 0 40108 1 0 42109 1 0 43110 1 0 47111 1 0 47112 1 0 48113 1 0 49114 1 0 49115 1 0 52116 1 0 55117 1 0 M CHG 1 37 1 M END