HMDB0032257 RDKit 3D Ethyl abietate 58 60 0 0 0 0 0 0 0 0999 V2000 -4.8022 2.5709 1.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9450 2.1202 0.1331 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9959 1.1864 -0.2794 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7988 -0.0593 0.2802 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5238 -0.3920 1.2369 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7323 -0.9210 -0.2983 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0633 -1.0720 -1.7546 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8217 -2.2421 0.4293 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4989 -2.8330 0.7749 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4408 -2.5623 -0.2834 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2330 -1.1037 -0.4637 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0013 -0.8369 -1.9427 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9599 -0.5360 0.2721 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2163 -1.2797 0.0607 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3110 -0.5594 0.8724 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5112 0.8004 0.2378 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8759 1.3314 0.1976 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4597 1.5084 1.5931 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7760 0.3799 -0.5958 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4557 1.4319 -0.2424 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1115 0.8645 -0.1798 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0732 1.6190 -0.5147 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3145 1.1360 -0.4666 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4238 -0.2750 -0.0070 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7245 2.7651 1.7879 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2867 1.9232 2.2874 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3142 3.5752 1.6231 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9893 1.7937 -0.0407 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7984 3.0357 -0.5115 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4868 -1.8102 -2.3039 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0902 -0.0605 -2.2157 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1371 -1.4237 -1.7907 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4119 -2.1606 1.3653 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3753 -2.9982 -0.1999 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5360 -3.9225 0.9054 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0823 -2.4213 1.7308 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4488 -3.1406 0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7416 -3.0614 -1.2522 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1005 -1.7812 -2.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0274 -0.4526 -2.1428 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6966 -0.1134 -2.3652 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7195 -0.4962 1.3708 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5647 -1.2469 -0.9871 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2563 -2.3126 0.3925 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8573 -0.3575 1.8635 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2335 -1.1330 0.9267 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9546 2.3120 -0.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8168 0.5315 1.9875 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6905 1.9570 2.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2851 2.2414 1.5109 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2256 0.1841 -1.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9326 -0.5504 -0.0401 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7213 0.9207 -0.8345 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6077 2.4086 -0.6979 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2716 2.6249 -0.8329 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8220 1.3428 -1.4273 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8413 1.8040 0.2818 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3362 -0.2533 1.1211 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 2 0 6 4 1 1 6 7 1 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 6 11 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 17 19 1 0 16 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 1 0 24 6 1 0 24 11 1 0 21 13 1 0 1 25 1 0 1 26 1 0 1 27 1 0 2 28 1 0 2 29 1 0 7 30 1 0 7 31 1 0 7 32 1 0 8 33 1 0 8 34 1 0 9 35 1 0 9 36 1 0 10 37 1 0 10 38 1 0 12 39 1 0 12 40 1 0 12 41 1 0 13 42 1 1 14 43 1 0 14 44 1 0 15 45 1 0 15 46 1 0 17 47 1 0 18 48 1 0 18 49 1 0 18 50 1 0 19 51 1 0 19 52 1 0 19 53 1 0 20 54 1 0 22 55 1 0 23 56 1 0 23 57 1 0 24 58 1 1 M END