HMDB0061925 RDKit 3D Dehydroabietic acid 50 52 0 0 0 0 0 0 0 0999 V2000 5.4865 -0.7156 -0.4469 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6478 0.5119 -0.2677 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0491 1.2598 0.9919 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1952 0.1982 -0.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7541 -0.6162 0.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3913 -0.9180 1.0123 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4793 -0.4031 0.1197 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8971 0.4075 -0.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2439 0.6898 -1.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0385 1.0052 -1.9145 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4070 0.3661 -1.7744 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7431 0.3559 -0.2958 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9577 -0.7684 0.3219 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1671 -2.0950 -0.3439 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2249 -0.8552 1.7941 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7178 -0.9212 2.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4160 0.2699 1.4936 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1781 0.4350 0.0293 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0505 -0.5409 -0.7196 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6825 1.8047 -0.3474 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1338 2.6068 0.5399 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7018 2.2969 -1.6336 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9473 -1.4354 -1.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7971 -1.1846 0.5066 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4049 -0.4145 -1.0116 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7565 1.1754 -1.1523 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8863 2.3510 0.8118 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4317 0.8693 1.8152 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1269 1.1171 1.1409 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4885 -1.0098 1.5725 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1460 -1.5636 1.8436 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6060 1.3291 -1.8077 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0858 2.1180 -1.7443 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3704 0.8031 -2.9216 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1339 0.8590 -2.4085 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2889 -0.6651 -2.1732 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2770 1.3051 0.1113 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0217 -2.1652 -1.0054 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2348 -2.8737 0.4627 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2717 -2.4164 -0.9521 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8321 -1.8527 2.1333 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7800 -0.0409 2.3639 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8291 -0.8916 3.1772 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1510 -1.8797 1.7274 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5223 0.0864 1.6235 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1365 1.1759 2.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0758 -0.1068 -0.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1620 -1.5028 -0.1595 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7409 -0.6741 -1.7632 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1434 3.1137 -1.9093 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 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 6 13 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 18 20 1 6 20 21 2 0 20 22 1 0 9 4 1 0 18 12 1 0 13 7 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 6 31 1 0 9 32 1 0 10 33 1 0 10 34 1 0 11 35 1 0 11 36 1 0 12 37 1 1 14 38 1 0 14 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 22 50 1 0 M END