HMDB0030227 RDKit 3D 5-Methoxycanthin-6-one 29 32 0 0 0 0 0 0 0 0999 V2000 4.7337 -0.8048 0.1604 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4839 -1.4194 0.0748 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3293 -0.6377 0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4274 0.7377 0.0134 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2287 1.4216 -0.0635 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1241 2.7704 -0.0650 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0976 3.3514 -0.1438 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2785 2.6374 -0.2252 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1942 1.2513 -0.2252 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0875 0.2084 -0.2889 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4571 0.1409 -0.3802 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1174 -1.0787 -0.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3894 -2.2588 -0.3854 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0164 -2.1832 -0.2939 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3549 -0.9795 -0.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0541 -0.6145 -0.1571 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0989 -1.3021 -0.0832 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0214 -2.5575 -0.0935 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0508 0.7167 -0.1447 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9389 -0.2669 -0.7933 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6722 -0.0074 0.9477 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5460 -1.4682 0.4591 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3397 1.2669 0.0761 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1373 4.4254 -0.1421 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2590 3.0782 -0.2886 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0132 1.0656 -0.4134 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1895 -1.1735 -0.5006 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9119 -3.2271 -0.4241 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4371 -3.0924 -0.2590 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 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 1 0 17 18 2 0 16 19 1 0 17 3 1 0 19 5 1 0 19 9 2 0 15 10 1 0 1 20 1 0 1 21 1 0 1 22 1 0 4 23 1 0 7 24 1 0 8 25 1 0 11 26 1 0 12 27 1 0 13 28 1 0 14 29 1 0 M END