HMDB0036690 RDKit 3D 3-Epinobilin 51 52 0 0 0 0 0 0 0 0999 V2000 1.3806 -0.6191 -2.7003 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2706 -0.9575 -2.1026 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4821 -2.1719 -2.3547 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3318 -3.0727 -3.2159 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5418 -2.2663 -1.4219 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1346 -1.4122 -0.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0111 -1.2813 0.7607 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9539 -0.4391 1.1236 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7037 -0.6293 2.4485 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4389 0.7604 0.3839 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7337 0.4689 -0.9568 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5938 1.9711 0.5833 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0930 2.4228 -0.7422 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8036 2.4391 -1.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4565 2.9251 -2.4533 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2981 2.0238 -0.1627 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4271 0.5299 -0.0961 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7211 0.0430 -0.1240 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3476 -0.6185 0.9151 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6312 -0.7549 1.9339 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7125 -1.1109 0.8334 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4773 -0.8994 -0.4175 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2553 -1.7282 1.8433 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5545 -1.9794 3.1316 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5143 -0.2128 -1.0232 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9267 0.2964 -2.4945 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8036 -1.2810 -3.4559 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1871 -1.9584 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8893 -2.0928 1.5443 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6607 0.3100 3.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7514 -0.8405 2.1269 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2483 -1.4155 3.0426 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4628 1.0809 0.7754 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4317 1.0454 -1.3228 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7572 1.7950 1.3128 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1313 2.8565 1.0113 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8794 2.7459 -1.4416 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3576 3.6865 -2.3581 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1455 2.0684 -3.0875 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3218 3.3868 -2.9469 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0822 2.5019 0.8296 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2256 2.5301 -0.5026 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0445 0.2585 0.9385 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0044 -1.4960 -1.2402 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5176 -1.2582 -0.3452 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4390 0.1672 -0.7477 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2739 -2.0902 1.7689 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6636 -2.5893 2.9467 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1830 -2.5081 3.8509 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2237 -1.0399 3.6187 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1621 0.4099 -1.6198 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 2 0 3 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 21 23 2 0 23 24 1 0 17 25 1 0 25 2 1 0 25 6 1 0 1 26 1 0 1 27 1 0 6 28 1 0 7 29 1 0 9 30 1 0 9 31 1 0 9 32 1 0 10 33 1 0 11 34 1 0 12 35 1 0 12 36 1 0 13 37 1 0 15 38 1 0 15 39 1 0 15 40 1 0 16 41 1 0 16 42 1 0 17 43 1 0 22 44 1 0 22 45 1 0 22 46 1 0 23 47 1 0 24 48 1 0 24 49 1 0 24 50 1 0 25 51 1 0 M END