HMDB0029411 RDKit 3D Prebetanin 69 72 0 0 0 0 0 0 0 0999 V2000 -10.7090 -0.8411 0.2270 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.5390 -1.3021 0.2253 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3866 -2.6557 0.4705 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3702 -0.4791 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1755 -1.0337 -0.0057 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9708 -0.2632 -0.2438 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7793 -0.8242 -0.0579 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5444 -0.1103 -0.2792 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4213 -0.7262 -0.0704 N 0 0 0 0 0 4 0 0 0 0 0 0 -1.1002 -0.1580 -0.2441 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6601 0.8754 -1.0534 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6796 1.2203 -1.0216 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1152 2.2580 -1.8359 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6033 0.5810 -0.2183 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9237 0.9907 -0.2489 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9795 0.4674 0.4866 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9224 -0.0381 -0.4387 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7418 -0.9018 0.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8811 -1.3987 -0.5862 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6495 -0.3408 -1.0219 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9300 -0.8016 -1.9715 S 0 0 0 0 0 6 0 0 0 0 0 0 9.9453 -1.5817 -1.1802 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5207 -1.6465 -3.1338 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7016 0.5591 -2.5674 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1867 -0.2339 1.5319 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4452 -0.6635 1.9520 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1002 1.2726 1.4219 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7857 1.7601 0.3097 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6425 1.6328 1.2318 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4963 2.8020 0.4824 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1239 -0.4496 0.5785 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2040 -0.8182 0.5708 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9689 -1.8564 1.3023 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1619 -2.0835 0.3725 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7450 -2.8539 -0.8122 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5338 -3.0474 -1.0188 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6836 -3.3537 -1.6803 O 0 0 0 0 0 1 0 0 0 0 0 0 -6.0382 1.1239 -0.6846 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3190 1.7861 -0.3001 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1177 2.4508 1.0254 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9255 2.1813 1.9430 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0876 3.3313 1.2510 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4585 0.9171 -0.2779 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.7936 -3.0403 1.3049 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0605 -2.1188 0.1904 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7906 -1.8755 0.2773 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4895 0.9048 -0.6123 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3585 1.4064 -1.7033 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0861 2.5412 -1.8422 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7446 -0.3548 1.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0932 -1.7822 0.5477 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4812 -2.1647 -0.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4271 -1.8870 -1.4782 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5674 1.2785 -1.9026 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4844 -0.5129 2.3696 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5933 -0.2207 2.8402 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5186 1.7363 2.3424 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5518 2.7008 0.1856 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1779 1.7293 2.2343 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5756 2.5303 -0.4715 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8131 -0.9773 1.2228 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4091 -2.7740 1.4828 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4035 -1.3995 2.2243 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0048 -2.5475 0.9166 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9802 1.1288 -1.8019 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2252 1.7861 -0.3162 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5339 2.6043 -1.0441 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1376 4.2094 1.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4020 1.3518 -0.4630 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 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 12 14 2 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 1 0 21 22 2 0 21 23 2 0 21 24 1 0 18 25 1 0 25 26 1 0 25 27 1 0 27 28 1 0 27 29 1 0 29 30 1 0 14 31 1 0 31 32 2 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 2 0 35 37 1 0 6 38 1 0 38 39 1 0 39 40 1 0 40 41 2 0 40 42 1 0 39 43 1 0 43 4 1 0 34 9 1 0 32 10 1 0 29 16 1 0 3 44 1 0 5 45 1 0 7 46 1 0 8 47 1 0 11 48 1 0 13 49 1 0 16 50 1 0 18 51 1 0 19 52 1 0 19 53 1 0 24 54 1 0 25 55 1 0 26 56 1 0 27 57 1 0 28 58 1 0 29 59 1 0 30 60 1 0 31 61 1 0 33 62 1 0 33 63 1 0 34 64 1 0 38 65 1 0 38 66 1 0 39 67 1 0 42 68 1 0 43 69 1 0 M CHG 2 9 1 37 -1 M END