HMDB0034736 RDKit 3D Abietinol 53 55 0 0 0 0 0 0 0 0999 V2000 5.2007 0.8473 1.2208 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6951 0.0652 0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1854 -1.3417 0.1379 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2168 0.1509 -0.0354 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5037 -0.9594 0.0082 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0345 -0.8804 -0.0546 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2850 -1.7647 0.5426 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1844 -1.7588 0.5298 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7761 -0.6385 -0.2857 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2119 -0.4391 0.0321 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.6743 -1.2546 1.2431 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0643 -0.9566 -1.1353 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7829 -2.3287 -1.2999 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5977 0.9817 0.2889 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9898 1.8348 -0.7972 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5008 1.8336 -0.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9166 0.5813 -0.1109 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5544 0.8224 1.3448 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4034 0.2197 -0.8101 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2876 1.3864 -1.0128 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5096 1.4363 -0.1445 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4983 0.8137 2.0822 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3977 1.9153 0.9113 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1697 0.4717 1.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1392 0.5042 -0.8969 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8623 -1.9369 -0.7464 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9090 -1.8317 1.0898 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2936 -1.3198 0.1069 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9640 -1.9340 0.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7669 -2.5694 1.0918 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4966 -2.7222 0.0382 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5158 -1.7303 1.5896 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6564 -0.9505 -1.3654 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3718 -0.8024 2.1919 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4209 -2.3142 1.1542 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8036 -1.2094 1.2314 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1179 -0.7966 -0.8299 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8588 -0.4335 -2.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5367 -2.8119 -0.8495 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7187 1.0356 0.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2468 1.3785 1.2534 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3612 2.8847 -0.7069 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2563 1.4972 -1.8063 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0909 2.1052 -1.6814 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2253 2.7122 -0.0101 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2489 0.3049 2.0376 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6593 1.9177 1.6019 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4592 0.4570 1.5953 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0717 -0.2384 -1.7898 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6635 1.3452 -2.0785 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7871 2.3696 -0.9321 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3086 1.9000 0.8519 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2268 2.1513 -0.6425 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 1 10 12 1 0 12 13 1 0 10 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 1 17 19 1 0 19 20 1 0 20 21 1 0 21 4 1 0 19 6 1 0 17 9 1 0 1 22 1 0 1 23 1 0 1 24 1 0 2 25 1 0 3 26 1 0 3 27 1 0 3 28 1 0 5 29 1 0 7 30 1 0 8 31 1 0 8 32 1 0 9 33 1 6 11 34 1 0 11 35 1 0 11 36 1 0 12 37 1 0 12 38 1 0 13 39 1 0 14 40 1 0 14 41 1 0 15 42 1 0 15 43 1 0 16 44 1 0 16 45 1 0 18 46 1 0 18 47 1 0 18 48 1 0 19 49 1 6 20 50 1 0 20 51 1 0 21 52 1 0 21 53 1 0 M END