HMDB0033987 RDKit 3D Ononin 53 56 0 0 0 0 0 0 0 0999 V2000 9.8763 0.0059 0.1988 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9351 -0.6470 -0.5999 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5749 -0.5289 -0.5011 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9470 0.2747 0.4284 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5737 0.3466 0.4722 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7801 -0.3682 -0.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3405 -0.2698 -0.3221 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5443 -1.3943 -0.3822 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2291 -1.3061 -0.3157 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6078 -0.1547 -0.1899 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7770 -0.0640 -0.1201 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4488 1.1316 0.0118 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7989 1.2334 0.0809 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7613 0.2108 0.0369 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6050 0.4945 -1.0304 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6889 -0.3248 -1.1312 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9062 0.5329 -1.4782 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1295 1.4853 -0.4850 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9387 -1.2277 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2270 -2.4216 -0.1038 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7057 -0.6258 1.3634 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4420 -1.6919 2.2530 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5019 0.2523 1.3605 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8282 1.5734 1.6053 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7059 2.2970 0.0777 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6695 2.2402 0.0112 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3300 1.0132 -0.1228 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7031 0.9463 -0.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3613 1.9998 -0.1299 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4060 -1.1740 -1.3272 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7813 -1.2463 -1.3715 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6039 0.0561 1.2691 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8261 -0.5867 0.1377 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1371 1.0154 -0.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5348 0.8564 1.1324 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0998 0.9816 1.2073 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0410 -2.3571 -0.4863 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3037 -1.0012 -0.1763 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2910 -0.7672 -0.0675 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5337 -0.9742 -2.0426 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8086 -0.0968 -1.6516 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7331 1.0810 -2.4263 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7859 1.2229 0.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0269 -1.5288 -0.0201 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6524 -3.0077 -0.7824 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5856 -0.0992 1.7846 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8044 -2.3394 1.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7402 -0.0344 2.1376 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2351 2.2129 1.1139 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2325 3.2285 0.1805 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2654 3.1438 0.0614 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7850 -1.7245 -1.9955 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2451 -1.8743 -2.0986 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 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 16 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 12 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 6 30 1 0 30 31 2 0 31 3 1 0 28 7 1 0 27 10 1 0 23 14 1 0 1 32 1 0 1 33 1 0 1 34 1 0 4 35 1 0 5 36 1 0 8 37 1 0 11 38 1 0 14 39 1 0 16 40 1 0 17 41 1 0 17 42 1 0 18 43 1 0 19 44 1 0 20 45 1 0 21 46 1 0 22 47 1 0 23 48 1 0 24 49 1 0 25 50 1 0 26 51 1 0 30 52 1 0 31 53 1 0 M END