HMDB0033931 RDKit 3D Xanthoxyletin 33 35 0 0 0 0 0 0 0 0999 V2000 -1.8019 2.9274 0.6606 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5923 2.0995 -0.4559 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2047 0.7820 -0.3786 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1153 0.4198 -0.3707 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4868 -0.9265 -0.2914 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4987 -1.8984 -0.2204 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8288 -1.5202 -0.2291 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7435 -2.4924 -0.1589 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0137 -2.2023 -0.1628 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8947 -3.1195 -0.0963 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4342 -0.8918 -0.2394 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5293 0.1415 -0.3133 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1732 -0.1974 -0.3073 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8218 -1.2606 -0.2854 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8697 -0.3431 -0.3538 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6178 -0.6648 -1.6614 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8428 -0.5549 0.7952 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4366 1.0677 -0.4364 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1762 1.4144 -0.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0327 2.7113 1.4369 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7846 2.7017 1.1662 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8225 3.9870 0.3612 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1916 -2.9278 -0.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5024 -0.6453 -0.2429 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8046 1.1675 -0.3738 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8194 -0.7205 -2.4489 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0524 -1.6802 -1.5959 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3249 0.1199 -1.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3297 -1.0360 1.6511 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2460 0.4164 1.1636 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6432 -1.2388 0.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1702 1.8883 -0.4952 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9008 2.4760 -0.5067 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 2 0 9 11 1 0 11 12 2 0 12 13 1 0 5 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 15 18 1 0 18 19 2 0 13 3 1 0 19 4 1 0 13 7 2 0 1 20 1 0 1 21 1 0 1 22 1 0 6 23 1 0 11 24 1 0 12 25 1 0 16 26 1 0 16 27 1 0 16 28 1 0 17 29 1 0 17 30 1 0 17 31 1 0 18 32 1 0 19 33 1 0 M END