HMDB0034650 RDKit 3D Soyasaponin II 140147 0 0 0 0 0 0 0 0999 V2000 9.3547 -1.6376 1.0897 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5625 -0.1645 1.3735 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4794 0.6032 0.9435 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3377 0.3872 -0.4264 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1755 0.9394 -0.9496 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3797 0.0514 -1.6011 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9974 -0.1405 -1.0328 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8603 0.1155 0.2997 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9300 1.1330 0.4827 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6178 2.3976 1.0121 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7236 3.4416 0.8386 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9762 2.1831 2.4601 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9180 1.1653 2.5917 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6901 1.7542 3.1670 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4766 2.6529 4.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3354 2.7190 5.2126 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3329 3.4251 4.3716 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6113 1.8258 2.2852 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7493 0.7730 1.3216 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5220 0.8137 0.6339 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6966 -0.2555 0.9243 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4970 0.2616 1.7312 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3111 1.1746 0.8743 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9532 0.4497 -0.3207 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6607 1.2577 -1.5227 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3424 -0.9297 -0.3322 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9293 -1.7380 -1.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3836 -2.0217 -1.0485 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1437 -0.7471 -0.8158 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.4907 -0.1876 -2.1778 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3968 0.2471 0.0288 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.1976 1.4930 0.2135 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6191 1.3426 -0.1063 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2744 0.1712 -0.2415 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7170 0.2038 -0.5712 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.5539 1.1077 0.2443 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2219 0.5342 1.4452 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3406 0.3354 2.6279 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3061 1.5522 1.8448 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9791 -0.7402 1.1495 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0082 -1.6900 0.5045 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.6676 -2.8679 0.0763 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3390 -1.1279 -0.7066 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.3946 -1.0082 -1.8367 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3776 -2.1782 -1.2154 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1149 -2.3113 -0.4491 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4490 -1.0422 -0.0505 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.1640 -1.1211 1.4427 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1439 -0.9924 -0.2387 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4513 -2.4822 0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9016 -0.6547 -1.4772 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4184 -1.3289 -2.6179 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5943 -1.4492 -1.2955 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9312 -1.8339 -2.5937 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0913 -0.6505 -3.5236 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3405 -1.1366 -4.7962 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2021 0.2919 -3.0813 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3423 0.1286 -3.8248 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5166 1.0436 -1.1086 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1968 0.1720 -1.9410 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5400 1.5366 -0.0756 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6336 2.0106 -0.7547 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8664 0.3422 0.7980 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7649 0.6889 1.8132 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2948 -1.9299 1.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8915 -2.2753 1.8315 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8138 -1.8507 0.1085 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6109 -0.0537 2.4809 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3333 -0.6766 -0.6893 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8969 -0.9526 -1.5326 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3160 0.5235 -1.6361 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5252 1.4659 -0.5197 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4707 2.5942 0.3548 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8385 3.9248 -0.0229 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3439 3.1307 2.8663 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7517 1.5792 2.9205 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7657 0.7009 3.5037 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5323 3.2169 3.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8794 -0.1386 1.9282 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2623 -0.8968 1.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0289 -0.5061 2.2791 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0278 0.9295 2.5126 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6175 1.9874 0.5172 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0634 1.6713 1.5012 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4236 2.0066 -1.8107 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7363 1.9005 -1.3785 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4429 0.6857 -2.4484 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7195 -1.4238 0.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8845 -1.2963 -2.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4215 -2.7274 -1.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4436 -2.7175 -0.2016 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7735 -2.5092 -1.9935 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5142 -0.4824 -2.4955 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4918 0.9175 -2.2298 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8092 -0.6418 -2.9281 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3272 -0.2188 1.0615 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1377 1.8543 1.2611 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8161 2.3506 -0.3899 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1915 2.2683 -0.2451 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7292 0.6569 -1.6305 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0530 2.0507 0.5511 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4002 1.4754 -0.4152 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4303 0.9892 2.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8846 0.6535 3.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0542 -0.7223 2.7993 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9689 1.1159 2.6159 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9166 1.7115 0.9403 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8495 2.4871 2.1958 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8944 -0.5915 0.5747 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2422 -1.1788 2.1501 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2894 -2.0178 1.2467 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9990 -3.3007 0.9086 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2292 -0.3767 -1.5317 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7651 -2.0135 -2.0988 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8515 -0.5989 -2.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2492 -2.1059 -2.3285 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9465 -3.1554 -1.1082 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3707 -2.9306 0.4683 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4593 -3.0014 -1.0212 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1514 -0.1674 1.9571 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0616 -1.6588 1.8779 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3343 -1.8221 1.6791 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5529 -3.0541 -0.9007 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3921 -2.5666 0.5984 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3526 -2.8955 0.7087 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0974 0.3977 -1.6635 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9207 -1.1262 -1.3336 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6412 -0.7933 -3.4367 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0733 -2.4148 -2.9886 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8130 -2.5049 -2.6252 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1070 -0.1429 -3.5538 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3104 -2.1267 -4.8432 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7704 1.3308 -3.1806 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4957 -0.8367 -3.9571 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2077 1.9713 -1.6609 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6058 0.6792 -2.6917 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1227 2.3296 0.5675 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9313 2.8977 -0.4002 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3598 -0.4024 0.1615 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5958 1.0609 1.4513 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 10 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 14 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 6 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 6 29 31 1 0 31 32 1 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 37 39 1 0 37 40 1 0 40 41 1 0 41 42 1 0 41 43 1 0 43 44 1 6 43 45 1 0 45 46 1 0 46 47 1 0 47 48 1 1 26 49 1 0 49 50 1 1 49 51 1 0 51 52 1 0 7 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 55 57 1 0 57 58 1 0 4 59 1 0 59 60 1 0 59 61 1 0 61 62 1 0 61 63 1 0 63 64 1 0 63 2 1 0 57 6 1 0 19 9 1 0 49 21 1 0 31 24 1 0 47 34 1 0 47 29 1 0 43 35 1 0 1 65 1 0 1 66 1 0 1 67 1 0 2 68 1 1 4 69 1 1 6 70 1 6 7 71 1 6 9 72 1 6 10 73 1 6 11 74 1 0 12 75 1 1 13 76 1 0 14 77 1 1 17 78 1 0 19 79 1 1 21 80 1 1 22 81 1 0 22 82 1 0 23 83 1 0 23 84 1 0 25 85 1 0 25 86 1 0 25 87 1 0 26 88 1 1 27 89 1 0 27 90 1 0 28 91 1 0 28 92 1 0 30 93 1 0 30 94 1 0 30 95 1 0 31 96 1 1 32 97 1 0 32 98 1 0 33 99 1 0 35100 1 6 36101 1 0 36102 1 0 38103 1 0 38104 1 0 38105 1 0 39106 1 0 39107 1 0 39108 1 0 40109 1 0 40110 1 0 41111 1 1 42112 1 0 44113 1 0 44114 1 0 44115 1 0 45116 1 0 45117 1 0 46118 1 0 46119 1 0 48120 1 0 48121 1 0 48122 1 0 50123 1 0 50124 1 0 50125 1 0 51126 1 0 51127 1 0 52128 1 0 54129 1 0 54130 1 0 55131 1 6 56132 1 0 57133 1 1 58134 1 0 59135 1 6 60136 1 0 61137 1 1 62138 1 0 63139 1 6 64140 1 0 M END