HMDB0033144 RDKit 3D Sennoside E 105112 0 0 0 0 0 0 0 0999 V2000 -7.4220 -0.5176 -4.7943 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6599 -1.4183 -4.4024 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0221 -2.2185 -5.3425 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4366 -1.6329 -2.9912 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6649 -2.5552 -2.6072 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0267 -0.8746 -2.0021 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7755 -1.1182 -0.6005 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.2449 0.1508 0.0167 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.9379 0.2564 0.2858 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9278 -0.4612 0.8267 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1678 -1.6947 1.3704 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0675 -2.3768 1.9041 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8118 -1.8542 1.8922 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5493 -0.5855 1.3377 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6135 0.0658 0.8265 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4721 1.4201 0.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4814 1.9898 -0.1872 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1427 2.0283 0.3374 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0354 3.3470 -0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0436 4.0743 -0.6415 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2100 3.9840 0.0208 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2486 3.2814 0.5612 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5439 3.9868 0.6721 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6797 5.1884 0.2833 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6023 3.2867 1.2169 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1352 1.9761 0.9922 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0727 1.3290 0.8812 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1662 -0.0791 1.3277 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7598 -0.9420 0.5112 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6786 -0.8445 -0.9362 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4957 -1.0269 -1.6052 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5754 -0.9096 -3.0031 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8365 -1.0970 -3.6911 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8658 -1.3457 -3.0349 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8887 -0.9994 -5.0569 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5343 -0.6087 -3.7307 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7610 -0.4168 -3.0737 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8108 -0.1204 -3.8904 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8162 -0.5391 -1.6827 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1334 -0.4093 -1.0749 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1875 -0.1354 -1.7069 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2592 -0.6069 0.3601 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5304 -0.5647 0.9575 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5837 -0.2646 0.1573 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9437 -0.2355 0.4678 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3477 1.0777 0.8008 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5159 1.0025 1.5714 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1316 2.3280 1.8739 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2995 2.1906 2.6455 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4856 0.0112 1.0266 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6374 -1.0992 1.8714 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2246 -0.4123 -0.3959 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5809 0.5909 -1.3077 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8037 -0.8194 -0.5999 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7182 -2.2079 -0.5238 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6763 -0.8173 2.2787 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5395 -1.1199 3.0354 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3047 -1.1565 2.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1229 -0.8998 1.0796 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0062 0.5345 1.1475 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3023 0.7623 0.7165 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.0901 1.5636 1.7431 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3878 1.7373 1.2101 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9797 -0.5466 0.5068 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.1236 -0.4083 -0.3167 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0521 -1.5909 -0.0033 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.8675 -2.5377 1.0056 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4089 -3.1458 -5.5278 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0698 -1.9617 -0.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4988 0.9821 -0.7425 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1549 -2.1663 1.4341 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2919 -3.3694 2.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0051 -2.4266 2.3176 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9684 3.9702 -0.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2997 5.0162 -0.3198 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4613 3.7147 1.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0115 1.5173 1.4378 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1594 -0.0564 2.4019 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4571 -2.0502 0.6969 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4262 -1.2947 -1.1493 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0958 -0.1659 -5.5933 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4924 -0.5126 -4.8228 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7406 0.0690 -3.8176 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0825 -0.8186 1.4215 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1566 0.5868 2.5608 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4634 2.9686 2.5211 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2871 2.9314 0.9643 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0990 2.2076 3.6206 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4959 0.5179 1.0239 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4927 -1.5593 1.7452 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8738 -1.3089 -0.5886 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7344 1.4306 -0.8296 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4221 -0.5592 -1.6176 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3234 -2.5158 0.1848 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6463 -0.7919 2.7813 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7045 -1.3156 4.0899 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4514 -1.4055 3.0815 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3396 1.3230 -0.2451 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6182 2.5450 1.9457 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1610 1.0244 2.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3221 2.1628 0.3323 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4271 -0.8312 1.5071 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7652 -1.1435 -0.0877 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6084 -2.1536 -0.8115 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2865 -2.2378 1.8726 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 4 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 2 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 23 25 1 0 22 26 1 0 26 27 2 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 31 32 1 0 32 33 1 0 33 34 2 0 33 35 1 0 32 36 2 0 36 37 1 0 37 38 1 0 37 39 2 0 39 40 1 0 40 41 2 0 40 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 47 50 1 0 50 51 1 0 50 52 1 0 52 53 1 0 52 54 1 0 54 55 1 0 43 56 1 0 56 57 2 0 57 58 1 0 58 59 2 0 8 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 61 64 1 0 64 65 1 0 64 66 1 0 66 67 1 0 66 7 1 0 15 10 1 0 27 18 1 0 59 29 1 0 28 14 1 0 39 30 1 0 59 42 1 0 54 45 1 0 3 68 1 0 7 69 1 6 8 70 1 6 11 71 1 0 12 72 1 0 13 73 1 0 20 74 1 0 21 75 1 0 25 76 1 0 26 77 1 0 28 78 1 1 29 79 1 6 31 80 1 0 35 81 1 0 36 82 1 0 38 83 1 0 45 84 1 1 47 85 1 1 48 86 1 0 48 87 1 0 49 88 1 0 50 89 1 6 51 90 1 0 52 91 1 6 53 92 1 0 54 93 1 6 55 94 1 0 56 95 1 0 57 96 1 0 58 97 1 0 61 98 1 6 62 99 1 0 62100 1 0 63101 1 0 64102 1 1 65103 1 0 66104 1 6 67105 1 0 M END