HMDB0304255 RDKit 3D abietadiene-diol 54 56 0 0 0 0 0 0 0 0999 V2000 5.5866 0.1427 -0.5659 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7499 0.2859 0.6647 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0816 -0.8502 1.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3024 0.3520 0.3933 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5172 -0.5416 0.9665 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0850 -0.5141 0.7272 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2169 -0.9764 1.5662 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2551 -0.9550 1.3428 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6221 0.1620 0.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1029 0.0345 0.1238 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7251 1.3242 -0.3662 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7490 -0.2343 1.4839 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4766 0.8147 2.3599 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1413 -0.1819 1.2619 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4870 -1.1379 -0.7353 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5406 -1.4754 -1.8269 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1005 -1.3158 -1.4894 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7907 0.0239 -0.8446 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0724 1.0643 -1.9088 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6560 0.0811 -0.5507 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2478 1.4900 -0.4949 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7322 1.3838 -0.4902 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8918 -0.9216 -0.7582 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5625 0.6992 -0.4712 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1189 0.4989 -1.4825 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0835 1.2265 1.1934 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6155 -0.7500 2.5969 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8182 -1.8134 1.1166 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1760 -0.8897 1.7853 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9148 -1.3193 1.6386 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5639 -1.4069 2.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5736 -1.9408 1.0352 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6868 -0.6783 2.3242 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4692 1.1465 0.8639 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0936 2.2077 -0.1953 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6963 1.5524 0.1665 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0356 1.1986 -1.4334 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5357 -1.2251 1.8806 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2449 1.6146 1.8269 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5765 0.5675 1.7206 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7477 -2.0465 -0.1153 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4760 -0.8617 -1.2086 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8528 -0.9725 -2.7667 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6840 -2.5746 -2.0634 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5279 -1.3197 -2.4579 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7121 -2.1622 -0.9089 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9464 0.8248 -2.5442 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1935 1.0267 -2.6066 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0962 2.0944 -1.5153 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2639 -0.4458 -1.3647 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9137 1.9001 0.4978 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9249 2.1302 -1.3122 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1263 2.3802 -0.1505 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0627 1.2832 -1.5435 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 6 10 12 1 0 12 13 1 0 12 14 1 0 10 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 6 18 20 1 0 20 21 1 0 21 22 1 0 22 4 1 0 20 6 1 0 18 9 1 0 1 23 1 0 1 24 1 0 1 25 1 0 2 26 1 0 3 27 1 0 3 28 1 0 3 29 1 0 5 30 1 0 7 31 1 0 8 32 1 0 8 33 1 0 9 34 1 0 11 35 1 0 11 36 1 0 11 37 1 0 12 38 1 0 13 39 1 0 14 40 1 0 15 41 1 0 15 42 1 0 16 43 1 0 16 44 1 0 17 45 1 0 17 46 1 0 19 47 1 0 19 48 1 0 19 49 1 0 20 50 1 6 21 51 1 0 21 52 1 0 22 53 1 0 22 54 1 0 M END