HMDB0038195 RDKit 3D Xanthorrhizol 38 38 0 0 0 0 0 0 0 0999 V2000 -5.0020 -1.0787 0.6332 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8178 -0.1806 0.5671 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0375 1.2534 0.9237 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6208 -0.6395 0.2058 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4478 0.2752 0.1459 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8913 0.3046 -1.2611 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2977 1.2136 -1.3836 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7461 1.1400 -2.8491 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4416 0.7538 -0.5583 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9740 1.6275 0.3587 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0540 1.2492 1.1652 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5773 -0.0271 1.0206 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7255 -0.4942 1.8463 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0613 -0.9171 0.1106 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5859 -2.1919 -0.0322 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9945 -0.4987 -0.6641 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9411 -0.5137 0.6064 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0221 -1.8064 -0.2003 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0099 -1.6654 1.5937 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5462 1.4850 1.9006 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1174 1.5010 0.9462 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5912 1.8993 0.1347 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5359 -1.6905 -0.0394 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6650 -0.1732 0.7964 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6869 1.2763 0.4952 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6518 -0.7044 -1.6272 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6824 0.7077 -1.9276 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0163 2.2341 -1.1413 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1183 0.9749 -3.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3657 0.2065 -2.9199 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3749 1.9927 -3.1161 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6035 2.6322 0.5106 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4810 1.9295 1.8907 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4398 -1.2986 2.5479 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5453 -0.8929 1.2132 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1612 0.3342 2.4378 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3647 -2.4416 0.5608 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5751 -1.1716 -1.3790 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 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 12 14 1 0 14 15 1 0 14 16 2 0 16 9 1 0 1 17 1 0 1 18 1 0 1 19 1 0 3 20 1 0 3 21 1 0 3 22 1 0 4 23 1 0 5 24 1 0 5 25 1 0 6 26 1 0 6 27 1 0 7 28 1 0 8 29 1 0 8 30 1 0 8 31 1 0 10 32 1 0 11 33 1 0 13 34 1 0 13 35 1 0 13 36 1 0 15 37 1 0 16 38 1 0 M END