HMDB0039541 RDKit 3D Typhaneoside 96101 0 0 0 0 0 0 0 0999 V2000 -7.4435 -2.7063 2.2545 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4507 -1.4103 1.6948 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2978 -0.9578 1.0697 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1637 -1.7218 0.9845 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9888 -1.2710 0.3516 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8925 -2.2112 0.2767 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2369 -3.5289 0.3899 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4182 -4.5085 0.3538 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8263 -5.8304 0.4742 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9012 -6.8641 0.4301 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3568 -8.1670 0.5539 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5568 -6.6002 0.2663 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1490 -5.2961 0.1463 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1894 -4.9074 -0.0244 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0750 -4.2557 0.1895 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6918 -2.9537 0.0732 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5102 -2.6719 -0.0767 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6049 -1.8519 0.1139 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0515 -0.6710 -0.0069 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6329 0.3237 -0.7888 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5744 0.0167 -1.4941 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7116 0.3668 -0.8509 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -0.4934 -1.2742 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0617 -0.1802 -0.6343 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0179 -1.0719 -1.1485 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9633 -0.2919 -1.8187 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2168 -0.8703 -1.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0539 -0.1158 -2.8423 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8177 -0.6915 -0.4424 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0337 -1.3754 -0.3172 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8156 -1.1146 0.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3374 -0.0310 1.3225 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6086 -1.8303 -0.0035 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9073 -3.1517 -0.3603 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5232 0.5041 0.6202 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7924 0.7468 1.2010 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7030 1.7984 0.7763 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5557 2.7995 0.3291 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4908 1.7001 -0.1234 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5938 2.0349 0.5703 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4881 2.9179 0.2655 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3864 3.8298 -0.5585 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2252 4.7702 -1.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5448 5.5197 -2.1805 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9064 5.6252 -0.0712 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2356 6.8750 -0.0675 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9591 5.1264 1.3304 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7002 6.1799 2.2478 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1697 3.9239 1.6615 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8460 4.1515 1.6180 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0881 -0.0208 -0.1623 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2362 0.7696 -0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3642 0.3106 0.5377 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5235 1.0851 0.6290 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4423 -3.0188 2.6058 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7271 -2.7383 3.0947 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1012 -3.4708 1.5125 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1769 -2.7019 1.4201 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8793 -5.9954 0.6003 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3338 -8.3742 0.6751 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1747 -7.3805 0.2294 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8784 -5.6323 -0.0585 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3088 0.4756 -1.6798 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9789 1.4094 -1.2165 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0351 -0.2441 -2.3672 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6966 -1.5639 -1.2294 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6047 -1.7643 -1.8838 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1959 -1.9280 -2.1585 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5368 -0.1087 -3.8213 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0379 -0.6341 -2.9352 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1641 0.9211 -2.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9812 0.4204 -0.3233 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3230 -1.2586 0.6143 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2949 -1.8091 1.3043 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0369 -0.3696 2.1973 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8583 -1.9027 0.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0731 -3.5815 -0.6037 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0441 -0.3253 1.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8467 1.6959 1.5378 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4637 1.9003 1.8581 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2787 3.2261 -0.5184 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3698 2.3959 -1.0147 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1712 3.5978 0.0253 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0571 4.1858 -1.5921 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7226 6.1681 -1.7969 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2748 6.1018 -2.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0801 4.7710 -2.8615 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9440 5.8862 -0.4206 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8532 7.6047 0.2092 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0469 4.8713 1.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7661 6.4579 2.0872 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4992 3.2595 2.4335 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6289 4.8001 0.8986 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2926 0.3987 -0.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2415 1.7702 -0.5202 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3515 0.7325 1.0892 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 10 12 2 0 12 13 1 0 13 14 1 0 13 15 2 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 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 29 30 1 0 29 31 1 0 31 32 1 0 31 33 1 0 33 34 1 0 22 35 1 0 35 36 1 0 35 37 1 0 37 38 1 0 37 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 43 45 1 0 45 46 1 0 45 47 1 0 47 48 1 0 47 49 1 0 49 50 1 0 5 51 2 0 51 52 1 0 52 53 2 0 53 54 1 0 53 3 1 0 18 6 2 0 39 20 1 0 49 41 1 0 15 8 1 0 33 25 1 0 1 55 1 0 1 56 1 0 1 57 1 0 4 58 1 0 9 59 1 0 11 60 1 0 12 61 1 0 14 62 1 0 20 63 1 0 22 64 1 0 23 65 1 0 23 66 1 0 25 67 1 0 27 68 1 0 28 69 1 0 28 70 1 0 28 71 1 0 29 72 1 0 30 73 1 0 31 74 1 0 32 75 1 0 33 76 1 0 34 77 1 0 35 78 1 0 36 79 1 0 37 80 1 0 38 81 1 0 39 82 1 0 41 83 1 0 43 84 1 0 44 85 1 0 44 86 1 0 44 87 1 0 45 88 1 0 46 89 1 0 47 90 1 0 48 91 1 0 49 92 1 0 50 93 1 0 51 94 1 0 52 95 1 0 54 96 1 0 M END