HMDB0032834 RDKit 3D 7-Acetoxy-6-hydroxylimonin 72 78 0 0 0 0 0 0 0 0999 V2000 0.6354 5.1949 -0.7633 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1903 3.9730 -1.0654 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9476 3.9310 -2.0717 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1244 2.8907 -0.2439 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8430 1.7212 -0.4352 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8999 1.4299 0.5864 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7049 2.5977 0.6342 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7835 0.3126 0.1735 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2454 -0.5490 1.3265 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7564 -0.6822 1.3618 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7823 -0.1006 2.6659 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6717 -1.8266 1.0987 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8866 -1.9207 -0.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6936 -3.1641 -0.9581 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0957 -2.9312 -2.3243 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5248 -3.8402 -2.9652 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1656 -1.6771 -2.9161 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7231 -0.5870 -2.1941 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1601 -0.6777 -0.7887 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6964 -0.7621 -0.7352 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1006 -1.5930 0.3727 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3318 -1.8527 -0.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1860 -0.5989 0.1405 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1161 -0.5116 -1.0573 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9821 -0.9111 1.3486 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4551 -1.0053 1.1536 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2238 -2.1353 0.9083 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5174 -1.7371 0.8042 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5795 -0.4372 0.9711 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3636 0.0240 1.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8054 -0.0602 2.4586 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5314 1.2596 2.2177 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1538 2.2311 2.7749 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4398 1.5220 1.2467 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8975 1.8712 0.0034 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2401 0.5501 0.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0671 0.5162 -0.6966 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6090 0.8639 -2.1009 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8357 5.2740 0.3234 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0935 6.1037 -1.0682 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5917 5.1009 -1.2987 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4351 1.9241 -1.3812 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5695 1.2639 1.6026 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1661 2.6655 -0.2394 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7036 0.6854 -0.3346 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2108 -0.1529 2.2204 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0843 -1.7372 1.3805 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1595 -0.1559 0.4484 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3312 -0.7485 3.4145 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0753 0.9297 2.9292 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7040 -0.3193 2.8751 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9777 -1.6110 -0.3733 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1243 -3.9850 -0.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6815 -3.6681 -1.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5988 0.3439 -2.7114 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8328 -0.7866 -2.1536 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3855 -1.2860 -1.6938 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5276 -2.5582 0.5572 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0203 -0.9240 1.2652 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2771 -2.0768 -1.2051 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7425 -2.7400 0.3687 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1264 0.5037 -1.5099 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8857 -1.2926 -1.8422 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1760 -0.7300 -0.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7207 -1.9360 1.7859 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8704 -3.1523 0.8149 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3901 -2.3488 0.6159 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1699 1.0697 1.3447 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6484 2.0947 1.7696 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0462 0.0142 -2.6057 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1877 1.7884 -2.0699 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3130 1.1195 -2.7093 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 0 8 9 1 0 9 10 1 0 9 11 1 0 9 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 17 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 23 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 1 0 25 31 1 0 31 32 1 0 32 33 2 0 32 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 37 5 1 0 19 8 1 0 37 20 1 0 19 13 1 0 36 23 1 0 30 26 2 0 36 34 1 0 1 39 1 0 1 40 1 0 1 41 1 0 5 42 1 0 6 43 1 0 7 44 1 0 8 45 1 0 10 46 1 0 10 47 1 0 10 48 1 0 11 49 1 0 11 50 1 0 11 51 1 0 13 52 1 0 14 53 1 0 14 54 1 0 18 55 1 0 18 56 1 0 20 57 1 0 21 58 1 0 21 59 1 0 22 60 1 0 22 61 1 0 24 62 1 0 24 63 1 0 24 64 1 0 25 65 1 0 27 66 1 0 28 67 1 0 30 68 1 0 34 69 1 0 38 70 1 0 38 71 1 0 38 72 1 0 M END