HMDB0036547 RDKit 3D 9-Hydroxyasimicinone 111113 0 0 0 0 0 0 0 0999 V2000 13.1245 -1.5776 0.0107 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1235 -0.9484 0.9346 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9189 0.4622 1.3053 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7422 0.8854 2.0657 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4223 0.6203 1.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2794 1.1528 2.2538 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9625 0.8303 1.5866 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8814 1.4564 0.2534 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6429 1.3236 -0.5473 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3846 1.9504 -0.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6028 1.8283 0.9867 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1556 2.2905 2.1673 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9937 0.4405 1.1901 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8900 0.5800 2.1903 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6529 0.2323 1.3905 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2443 -0.5663 0.2662 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3297 -0.7378 -0.8809 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9002 0.5315 -1.5709 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5939 0.0494 -2.2177 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1294 -0.9893 -1.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3911 -2.2335 -1.9889 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4393 -1.9798 -2.8394 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7460 -3.2785 -0.9781 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7547 -2.8802 0.0153 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0761 -2.4959 -0.6186 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0485 -2.1560 0.4798 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3961 -1.8258 -0.0389 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4223 -0.6483 -0.9429 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6781 -0.7889 -2.0838 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8520 -0.2260 -1.2864 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5991 -1.3191 -1.9651 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9891 -0.8756 -2.3079 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7309 -0.4922 -1.0734 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1542 -0.0769 -1.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7660 0.2848 0.0288 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8844 1.2394 -0.3387 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1339 2.3103 0.6716 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4912 1.7921 1.9991 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7342 2.2052 2.6976 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7505 0.9973 2.5473 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.3574 1.8725 -1.5992 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8903 2.8640 -2.1515 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.2133 1.1725 -2.0136 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1617 -1.3418 -0.4396 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4681 0.0330 -0.0256 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7056 -2.2226 -0.7226 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4175 -2.2679 0.4877 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5666 -0.8004 -0.5475 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2025 -1.6345 1.8215 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1675 -1.0271 0.4803 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9307 1.0477 0.3188 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8530 0.8731 1.8207 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7184 0.4015 3.0955 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8052 1.9852 2.2935 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4465 1.0771 0.4188 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2622 -0.4761 1.3283 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3269 0.7597 3.2881 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4010 2.2732 2.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1244 0.8921 2.2628 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0549 -0.3330 1.4424 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7405 0.9926 -0.3576 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1342 2.5492 0.3173 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5268 0.2147 -0.8352 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9488 1.7351 -1.5918 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5649 3.1007 -0.3577 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6478 1.8310 -1.1347 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6752 2.4839 0.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8827 2.9142 1.9155 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7361 -0.2749 1.5962 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8242 1.5977 2.6283 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9644 -0.2052 2.9833 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2131 1.2010 1.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9209 -0.3833 1.9588 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4772 -1.5725 0.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7747 -1.4135 -1.6386 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6899 1.3588 -0.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6262 0.8233 -2.3449 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8127 -0.4114 -3.1973 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0964 0.9133 -2.3045 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7595 -0.5899 -0.7188 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4429 -2.6109 -2.6674 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3652 -1.0519 -3.1938 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1836 -3.6565 -0.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1229 -4.1871 -1.5175 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4111 -2.0020 0.6021 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9786 -3.6732 0.7589 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3825 -3.2938 -1.2926 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8771 -1.5799 -1.2431 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1552 -3.0216 1.1948 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6585 -1.2619 1.0292 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1407 -1.6630 0.7993 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7367 -2.7641 -0.6036 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9340 0.1999 -0.3655 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7925 -0.0042 -2.6716 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7700 0.6788 -1.9159 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3130 0.0033 -0.2962 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1081 -1.6803 -2.8927 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6746 -2.2114 -1.2744 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5409 -1.6762 -2.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9173 0.0263 -2.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2566 0.3585 -0.5273 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7328 -1.3497 -0.3702 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7316 -0.8549 -1.8576 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2039 -0.6448 0.4147 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9981 0.7452 0.6449 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7999 0.6921 -0.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9689 2.9426 0.2698 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2720 2.9928 0.7326 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5794 2.3104 1.9742 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0047 1.3822 3.4079 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5932 3.1004 3.3411 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 11 12 1 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 28 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 38 40 2 0 36 41 1 0 41 42 2 0 41 43 1 0 20 44 1 0 16 45 1 0 45 13 1 0 44 17 1 0 43 34 1 0 1 46 1 0 1 47 1 0 1 48 1 0 2 49 1 0 2 50 1 0 3 51 1 0 3 52 1 0 4 53 1 0 4 54 1 0 5 55 1 0 5 56 1 0 6 57 1 0 6 58 1 0 7 59 1 0 7 60 1 0 8 61 1 0 8 62 1 0 9 63 1 0 9 64 1 0 10 65 1 0 10 66 1 0 11 67 1 0 12 68 1 0 13 69 1 0 14 70 1 0 14 71 1 0 15 72 1 0 15 73 1 0 16 74 1 0 17 75 1 0 18 76 1 0 18 77 1 0 19 78 1 0 19 79 1 0 20 80 1 0 21 81 1 0 22 82 1 0 23 83 1 0 23 84 1 0 24 85 1 0 24 86 1 0 25 87 1 0 25 88 1 0 26 89 1 0 26 90 1 0 27 91 1 0 27 92 1 0 28 93 1 0 29 94 1 0 30 95 1 0 30 96 1 0 31 97 1 0 31 98 1 0 32 99 1 0 32100 1 0 33101 1 0 33102 1 0 34103 1 0 35104 1 0 35105 1 0 36106 1 0 37107 1 0 37108 1 0 39109 1 0 39110 1 0 39111 1 0 M END