HMDB0301755 RDKit 3D Nuatigenin 73 78 0 0 0 0 0 0 0 0999 V2000 2.9685 -1.5964 -1.7683 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3169 -0.4970 -1.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7923 -0.8775 0.3352 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0713 0.3915 1.1509 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6914 0.9296 1.5473 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1968 0.3165 0.4966 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6450 0.3421 0.8376 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1607 1.7426 0.5886 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6427 1.7316 0.6710 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3851 0.7127 0.3365 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8653 0.7838 0.4484 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4232 0.3675 -0.9042 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2815 1.4182 -1.3098 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3797 0.2578 -1.9648 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2194 -0.6461 -1.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8020 -0.5449 -0.1697 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5663 -1.6576 0.5877 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3634 -0.7252 0.0783 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6195 -1.1105 -1.1922 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2601 -1.6945 -0.8535 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3068 -1.0866 0.4085 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0355 -1.9318 1.6302 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7268 1.2720 0.3094 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4222 0.4791 -0.5645 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0036 1.2070 -1.7363 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4218 1.4872 -1.2849 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5483 0.6570 -0.0354 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8189 -0.1681 -0.0308 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5730 1.5228 1.2146 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6790 0.6548 2.2976 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4742 -0.2145 -0.0175 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8754 -1.3402 -2.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5447 -2.6068 -1.5663 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0368 -1.6637 -1.4795 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6246 0.1208 -1.6061 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3345 -1.7446 0.7228 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6693 0.1405 2.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4646 0.6134 2.5681 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7762 2.0423 1.4366 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0459 0.8094 -0.4669 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7279 0.2033 1.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7559 2.3874 1.3996 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7806 2.1692 -0.3598 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1861 2.6272 1.0347 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2814 0.1623 1.2621 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1650 1.8365 0.7193 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1014 -0.5124 -0.8323 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7872 2.2579 -1.1359 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0465 1.2854 -2.2197 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8601 -0.1468 -2.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4326 -0.4347 -2.3434 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5576 -1.6841 -1.8159 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4476 -1.9993 0.0355 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8990 -1.2924 1.5758 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9033 -2.5408 0.7156 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2588 -1.6646 0.7157 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2025 -1.9118 -1.6784 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4732 -0.2992 -1.8974 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4156 -1.5130 -1.7026 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3107 -2.7894 -0.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5867 -1.4136 2.3987 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3529 -2.9393 1.3686 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9938 -2.1437 2.1602 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0833 0.4642 -2.5747 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4579 2.1169 -2.0206 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1657 1.1479 -2.0426 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5950 2.5467 -1.0546 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5885 0.2737 -0.7196 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6323 -1.2334 -0.2935 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2935 -0.1727 0.9738 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5236 2.1105 1.1852 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6906 2.1813 1.2833 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2658 1.0261 3.1172 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 2 0 10 11 1 0 11 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 4 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 27 31 1 0 24 2 1 0 21 3 1 0 31 24 1 0 21 6 1 0 18 7 1 0 16 10 1 0 1 32 1 0 1 33 1 0 1 34 1 0 2 35 1 0 3 36 1 0 4 37 1 0 5 38 1 0 5 39 1 0 6 40 1 0 7 41 1 0 8 42 1 0 8 43 1 0 9 44 1 0 11 45 1 0 11 46 1 0 12 47 1 0 13 48 1 0 14 49 1 0 14 50 1 0 15 51 1 0 15 52 1 0 17 53 1 0 17 54 1 0 17 55 1 0 18 56 1 0 19 57 1 0 19 58 1 0 20 59 1 0 20 60 1 0 22 61 1 0 22 62 1 0 22 63 1 0 25 64 1 0 25 65 1 0 26 66 1 0 26 67 1 0 28 68 1 0 28 69 1 0 28 70 1 0 29 71 1 0 29 72 1 0 30 73 1 0 M END