HMDB0029804 RDKit 3D Momordol 79 79 0 0 0 0 0 0 0 0999 V2000 5.2427 0.7184 2.2869 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1678 1.8188 1.2882 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9920 1.6805 0.0628 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4758 1.5697 0.2939 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 0.4720 1.0638 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5363 0.5968 -0.8949 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5594 -0.6332 -0.2683 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1932 0.9004 -1.4784 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6702 -0.1026 -2.4422 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5944 -0.1908 -3.4923 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3310 -1.4446 -1.9051 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7971 -2.3411 -3.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3410 -1.3851 -0.7471 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0897 -0.7593 -1.2081 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0080 -0.6117 -0.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4255 -1.9133 0.3981 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0070 0.2788 -0.7573 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2157 0.7007 -0.0567 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1785 -0.3431 0.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4128 0.2519 1.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8475 1.0715 2.2378 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1016 1.1972 0.1662 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4478 0.8268 -1.2209 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3716 -0.3477 -1.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3551 1.7089 0.8186 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7935 2.8573 0.5500 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0438 0.8670 1.7525 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5417 -0.2735 2.1537 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2400 -0.8073 1.6986 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5373 -1.2575 2.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4478 -1.9500 0.9787 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6536 1.0983 3.2623 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7751 -0.1738 1.9447 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1814 0.3821 2.5085 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4946 2.7769 1.8059 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0994 2.0020 0.9684 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8742 2.6677 -0.5011 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8675 2.5166 0.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9661 1.4936 -0.7061 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5830 -0.0237 0.6969 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3031 0.5285 -1.7252 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3284 -1.1962 -0.5283 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2648 1.9141 -1.9715 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4520 1.0557 -0.6555 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7323 0.3316 -2.8968 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7420 0.7156 -3.8574 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2556 -1.9663 -1.5541 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6168 -2.9266 -3.4941 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3861 -1.7008 -3.8429 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0009 -3.0090 -2.6826 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1626 -2.4558 -0.4584 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8591 -0.8404 0.0671 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6568 -1.2820 -2.0836 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2603 0.3006 -1.5588 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5324 -0.0700 0.6991 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4250 -2.6610 0.3375 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2455 -2.3782 -0.2177 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6864 -1.9509 1.4738 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4397 1.2274 -1.0495 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3114 -0.1079 -1.7854 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9300 1.3895 0.7963 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7658 1.4138 -0.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7994 -1.1531 0.9921 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5657 -0.8378 -0.5655 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7146 1.3057 2.9191 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1219 0.5066 2.8131 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5366 2.0393 1.8405 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4555 2.1347 0.1114 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5921 0.6935 -1.9244 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0141 1.6962 -1.7015 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1122 -0.4809 -0.5988 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0050 -0.2169 -2.3303 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8081 -1.2886 -1.5906 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0019 1.1732 2.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1067 -0.8647 2.8595 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5923 -0.5141 3.7871 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1683 -2.1212 3.3626 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5654 -1.6892 2.7707 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7443 -2.6101 1.1590 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 3 6 1 0 6 7 1 0 6 8 1 0 8 9 1 0 9 10 1 0 9 11 1 0 11 12 1 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 17 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 1 0 22 25 1 0 25 26 2 0 25 27 1 0 27 28 2 0 28 29 1 0 29 30 1 0 29 31 1 0 29 20 1 0 1 32 1 0 1 33 1 0 1 34 1 0 2 35 1 0 2 36 1 0 3 37 1 0 4 38 1 0 4 39 1 0 5 40 1 0 6 41 1 0 7 42 1 0 8 43 1 0 8 44 1 0 9 45 1 0 10 46 1 0 11 47 1 0 12 48 1 0 12 49 1 0 12 50 1 0 13 51 1 0 13 52 1 0 14 53 1 0 14 54 1 0 15 55 1 0 16 56 1 0 16 57 1 0 16 58 1 0 17 59 1 0 17 60 1 0 18 61 1 0 18 62 1 0 19 63 1 0 19 64 1 0 21 65 1 0 21 66 1 0 21 67 1 0 22 68 1 0 23 69 1 0 23 70 1 0 24 71 1 0 24 72 1 0 24 73 1 0 27 74 1 0 28 75 1 0 30 76 1 0 30 77 1 0 30 78 1 0 31 79 1 0 M END