HMDB0030629 RDKit 3D Rubraflavone B 69 71 0 0 0 0 0 0 0 0999 V2000 3.4661 2.7773 1.0501 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8510 2.3012 0.7015 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9431 2.4687 1.6849 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0623 1.7419 -0.4793 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9995 1.5562 -1.4887 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7585 0.1269 -1.8643 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3234 -0.6905 -0.6931 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1924 -0.8734 0.4933 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1369 -1.2908 -0.7195 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6043 -2.1355 0.4102 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3037 -1.5215 0.7984 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8605 -1.6868 0.0913 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9796 -2.5894 -1.0406 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3360 -2.1030 -2.3071 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5396 -2.9111 -3.3911 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3955 -4.2681 -3.2642 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5983 -5.0995 -4.3608 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0527 -4.7767 -2.0508 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8501 -3.9471 -0.9559 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5227 -4.5834 0.2253 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9281 -0.9715 0.4678 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8905 -0.1401 1.4744 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0354 0.5916 1.8363 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2372 0.3153 0.9715 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9912 1.0331 -0.3239 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7700 1.9458 -0.8405 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4118 2.5809 -2.1302 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0179 2.3615 -0.1674 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0660 1.4721 2.8718 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2115 2.1888 3.2169 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8930 1.6562 3.6131 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7492 0.9686 3.3029 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7600 0.0697 2.2273 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3617 -0.6344 1.8845 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4075 -0.4620 2.5560 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4881 3.3007 2.0289 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1090 3.5068 0.2948 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7360 1.9370 1.0505 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5248 2.4265 2.7132 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6276 1.5775 1.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5745 3.3516 1.5076 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0655 1.4109 -0.7152 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3667 2.1071 -2.4063 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0472 2.0439 -1.1256 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9789 0.1312 -2.6596 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6498 -0.3384 -2.3314 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2562 -0.5718 0.2981 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8653 -0.3164 1.3851 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2820 -1.9798 0.7232 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4883 -1.1915 -1.5824 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5158 -3.1412 0.0581 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3426 -2.0278 1.2476 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4544 -1.0357 -2.4276 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8147 -2.5373 -4.3687 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4879 -6.0999 -4.2501 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9296 -5.8292 -1.9065 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3945 -4.0747 1.0669 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2297 -0.7667 0.6968 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1812 0.5591 1.4221 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0750 0.7762 -0.9009 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3078 2.6480 -2.2716 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7721 3.6344 -2.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8082 2.0219 -3.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5196 1.4928 0.2582 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6874 2.9401 -0.8575 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7651 3.0636 0.6698 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0439 2.0516 2.6892 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9303 2.3644 4.4405 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1697 1.0944 3.8615 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 3 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 2 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 16 18 1 0 18 19 2 0 19 20 1 0 12 21 1 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 1 0 25 26 2 3 26 27 1 0 26 28 1 0 23 29 1 0 29 30 1 0 29 31 2 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 2 0 34 11 1 0 19 13 1 0 33 22 1 0 1 36 1 0 1 37 1 0 1 38 1 0 3 39 1 0 3 40 1 0 3 41 1 0 4 42 1 0 5 43 1 0 5 44 1 0 6 45 1 0 6 46 1 0 8 47 1 0 8 48 1 0 8 49 1 0 9 50 1 0 10 51 1 0 10 52 1 0 14 53 1 0 15 54 1 0 17 55 1 0 18 56 1 0 20 57 1 0 24 58 1 0 24 59 1 0 25 60 1 0 27 61 1 0 27 62 1 0 27 63 1 0 28 64 1 0 28 65 1 0 28 66 1 0 30 67 1 0 31 68 1 0 32 69 1 0 M END