HMDB0030909 RDKit 3D 2,3-Secoporrigenin 73 78 0 0 0 0 0 0 0 0999 V2000 6.3733 1.9892 1.1655 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0139 1.0293 0.0294 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9842 1.6103 -0.8907 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1357 0.4443 -1.4054 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4851 -0.1820 -0.2167 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3557 -0.5607 0.7804 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6817 -0.3334 0.5343 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5254 0.6543 0.3703 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8503 -0.1946 1.2469 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5047 0.3444 1.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4381 -0.7791 1.2843 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8744 -0.3432 1.1989 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8251 -1.4673 1.2867 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8850 -1.5583 0.2652 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1299 -1.9651 0.8533 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1868 -1.4676 0.1396 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3149 -1.9750 -0.0602 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7533 -0.1481 -0.3924 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2451 -0.3432 -0.4716 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5301 0.9233 -0.0452 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0036 1.3749 1.3323 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9249 1.9873 -1.0154 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3185 3.3123 -0.7529 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0698 3.5121 -0.6920 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1025 4.4613 -0.5477 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0848 0.6076 0.0449 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4839 0.1109 -1.2387 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0297 -0.1818 -1.0735 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1604 -1.2352 -0.0196 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3422 -2.5634 -0.5034 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6006 -1.4134 0.3932 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6012 -1.3327 -0.6783 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3495 -2.6382 -0.7505 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9082 2.8414 0.6551 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4966 2.3339 1.7111 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1372 1.4895 1.7793 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9641 0.9476 -0.5755 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2916 2.3084 -0.3327 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3993 2.1279 -1.7597 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8647 -0.2891 -1.8114 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3748 0.7560 -2.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1581 -1.1087 -0.1326 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2234 -0.4639 1.5128 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4952 -0.4423 2.0882 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4696 0.5619 2.7499 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3235 1.2547 1.0988 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3732 -1.6046 2.0071 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0397 0.2897 2.1239 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2216 -2.4233 1.2448 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3183 -1.5442 2.3019 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6600 -2.3689 -0.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2348 -0.0289 -1.3746 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0407 0.6678 0.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0218 -0.4406 -1.5809 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1987 1.9413 1.8312 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3950 0.5632 1.9466 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8668 2.0917 1.2127 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0398 2.1217 -0.9104 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7917 1.6899 -2.0743 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0469 4.3904 -0.1848 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5352 1.5331 0.3285 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9974 -0.7478 -1.6903 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5671 0.9453 -1.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5670 0.7319 -0.8834 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3248 -0.5814 -2.0675 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3201 -2.5439 -0.9791 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2273 -3.3384 0.2823 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3709 -2.8826 -1.3202 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6508 -2.3104 1.0471 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2602 -1.0787 -1.6755 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7453 -3.4414 -0.2342 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3204 -2.6378 -0.2633 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4711 -2.9894 -1.7944 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 5 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 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 20 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 20 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 29 31 1 0 31 32 1 0 32 33 1 0 7 2 1 0 31 9 1 0 32 5 1 0 29 11 1 0 26 12 1 0 19 14 1 0 1 34 1 0 1 35 1 0 1 36 1 0 2 37 1 0 3 38 1 0 3 39 1 0 4 40 1 0 4 41 1 0 7 42 1 0 7 43 1 0 9 44 1 0 10 45 1 0 10 46 1 0 11 47 1 0 12 48 1 0 13 49 1 0 13 50 1 0 14 51 1 0 18 52 1 0 18 53 1 0 19 54 1 0 21 55 1 0 21 56 1 0 21 57 1 0 22 58 1 0 22 59 1 0 25 60 1 0 26 61 1 0 27 62 1 0 27 63 1 0 28 64 1 0 28 65 1 0 30 66 1 0 30 67 1 0 30 68 1 0 31 69 1 0 32 70 1 0 33 71 1 0 33 72 1 0 33 73 1 0 M END