HMDB0038507 RDKit 3D Rheidin A 59 64 0 0 0 0 0 0 0 0999 V2000 0.0360 3.7257 -2.2617 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9439 2.7172 -1.6295 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2502 3.0094 -1.4093 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1009 2.0459 -0.8109 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3971 2.4094 -0.6210 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5212 0.8130 -0.4734 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2019 0.5032 -0.6866 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4287 1.4999 -1.2803 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6265 -0.7598 -0.2852 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6373 -0.6436 0.5466 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5231 0.2102 1.7052 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5296 0.0728 2.6175 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6644 0.8959 3.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2251 1.8940 3.9167 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3104 2.0912 3.0424 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1577 3.1133 3.3414 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4191 1.2262 1.9535 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5953 1.4194 1.1164 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4402 2.3025 1.2710 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7892 0.4823 -0.0062 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9593 0.6372 -0.7641 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8193 1.6771 -0.4678 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1844 -0.2675 -1.7714 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2837 -1.2827 -2.0132 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5559 -2.2280 -3.0921 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7357 -3.1526 -3.3125 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7053 -2.0917 -3.8502 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1484 -1.4143 -1.2617 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8737 -0.5154 -0.2246 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5624 -1.7741 0.1362 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1268 -3.0892 0.3735 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9892 -4.0451 0.8106 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5083 -5.3386 1.0328 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3009 -3.7831 1.0377 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7821 -2.4903 0.8144 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0960 -2.3222 1.0665 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8958 -1.5270 0.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4358 -0.1963 0.0699 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6418 0.0778 0.2701 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3693 4.7216 -1.8491 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1918 3.7941 -3.3514 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0027 3.6040 -1.9505 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6835 3.9569 -1.6717 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1989 2.0330 -0.2639 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5883 1.2979 -1.4782 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2076 -1.1896 -1.2771 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7290 -1.7069 0.9937 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2205 -0.7259 2.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5202 0.7250 4.3607 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1069 2.5436 4.7711 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9533 3.5010 2.9718 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6677 1.8769 -0.9367 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0865 -0.1729 -2.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7445 -2.5546 -4.7422 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4305 -2.2009 -1.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0938 -3.2672 0.1737 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5391 -5.9879 0.2532 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9359 -4.5868 1.3861 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6723 -1.5631 1.0047 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 4 6 2 0 6 7 1 0 7 8 2 0 7 9 1 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 1 0 15 17 2 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 2 0 21 22 1 0 21 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 25 27 1 0 24 28 1 0 28 29 2 0 9 30 1 0 30 31 2 0 31 32 1 0 32 33 1 0 32 34 2 0 34 35 1 0 35 36 1 0 35 37 2 0 37 38 1 0 38 39 2 0 8 2 1 0 29 10 1 0 37 30 1 0 38 6 1 0 17 11 1 0 29 20 1 0 1 40 1 0 1 41 1 0 1 42 1 0 3 43 1 0 5 44 1 0 8 45 1 0 9 46 1 0 10 47 1 0 12 48 1 0 13 49 1 0 14 50 1 0 16 51 1 0 22 52 1 0 23 53 1 0 27 54 1 0 28 55 1 0 31 56 1 0 33 57 1 0 34 58 1 0 36 59 1 0 M END