HMDB0302696 RDKit 3D Sakuranin 56 59 0 0 0 0 0 0 0 0999 V2000 1.6598 -4.6696 2.4197 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4595 -4.0436 1.9992 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5726 -2.7920 1.3946 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7692 -2.1649 1.1986 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8215 -0.9354 0.5994 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6773 -0.2983 0.1791 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5711 -0.9013 0.3583 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6581 -0.2136 -0.0819 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0134 -0.5677 -0.0357 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6363 0.3276 0.7950 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9753 0.4648 0.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4883 1.5127 1.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2312 1.1959 2.9263 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2332 0.9788 -0.7675 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5213 1.4351 -0.9122 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9229 -0.2156 -1.6437 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1772 0.0734 -2.9855 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5192 -0.6391 -1.4296 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7042 0.0822 -2.3154 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5857 -2.1317 0.9615 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 1.0031 -0.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1633 1.6376 -0.7954 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1922 1.6066 -0.6751 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2023 1.0796 0.3256 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5967 1.3132 -0.1502 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6679 0.6209 0.3734 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9669 0.8251 -0.0553 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2337 1.7486 -1.0419 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5431 1.9399 -1.4593 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1713 2.4440 -1.5703 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8585 2.2382 -1.1375 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0487 -0.3270 0.4154 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3018 -4.7501 1.4967 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2046 -4.0426 3.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4944 -5.7067 2.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6676 -2.6941 1.5429 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0888 -1.5601 0.4465 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5556 -0.4673 0.7956 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5875 1.5838 1.4789 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0748 2.5051 1.3266 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9670 0.5666 3.2083 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4666 1.7791 -0.9357 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9834 0.8663 -1.5751 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6717 -1.0126 -1.3609 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1272 -0.8106 -3.4685 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4357 -1.7114 -1.7774 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6158 1.0387 -2.0325 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5455 -2.6196 1.1112 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1049 2.6997 -0.5187 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5517 1.4448 -1.6989 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0269 1.4904 1.3366 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4892 -0.1094 1.1477 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7935 0.2663 0.3735 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1681 2.6224 -1.0317 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3695 3.1799 -2.3539 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0571 2.8141 -1.5882 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 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 12 13 1 0 11 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 7 20 2 0 6 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 28 30 1 0 30 31 2 0 24 32 1 0 20 3 1 0 31 25 1 0 32 5 1 0 18 9 1 0 1 33 1 0 1 34 1 0 1 35 1 0 4 36 1 0 9 37 1 0 11 38 1 0 12 39 1 0 12 40 1 0 13 41 1 0 14 42 1 0 15 43 1 0 16 44 1 0 17 45 1 0 18 46 1 0 19 47 1 0 20 48 1 0 23 49 1 0 23 50 1 0 24 51 1 0 26 52 1 0 27 53 1 0 29 54 1 0 30 55 1 0 31 56 1 0 M END