HMDB0033355 RDKit 3D Dehydroaporheine 36 40 0 0 0 0 0 0 0 0999 V2000 3.8324 1.0275 -0.3107 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7967 0.1074 0.0230 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1292 -1.2480 0.3988 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2236 -2.2543 -0.1917 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8157 -1.8571 -0.1478 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1655 -2.8652 -0.2235 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4877 -2.5277 -0.2105 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9162 -1.1927 -0.1231 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9436 -0.2233 -0.0494 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4311 -0.5533 -0.0612 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3936 0.4272 0.0227 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0329 1.7401 0.1143 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3074 2.0509 0.1223 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6530 3.3831 0.2149 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9597 3.7769 0.2295 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9637 2.8426 0.1513 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6391 1.4857 0.0568 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3231 1.1169 0.0441 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2832 -1.1914 -0.1338 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7734 -2.4918 -0.0175 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6270 -3.3101 -0.2722 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5297 1.8144 -1.0248 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2987 1.4732 0.6139 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6505 0.4592 -0.8029 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0994 -1.2695 1.5118 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2060 -1.4026 0.1244 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4854 -2.4492 -1.2535 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3231 -3.1904 0.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1997 -3.8740 -0.2892 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8043 2.5183 0.1782 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1244 4.1187 0.2762 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1865 4.8512 0.3047 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9894 3.1752 0.1645 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4478 0.8136 -0.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1795 -2.6382 0.9871 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5303 -2.6436 -0.8259 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 8 19 1 0 19 20 1 0 20 21 1 0 11 2 1 0 18 13 1 0 10 5 1 0 21 7 1 0 18 9 2 0 1 22 1 0 1 23 1 0 1 24 1 0 3 25 1 0 3 26 1 0 4 27 1 0 4 28 1 0 6 29 1 0 12 30 1 0 14 31 1 0 15 32 1 0 16 33 1 0 17 34 1 0 20 35 1 0 20 36 1 0 M END