HMDB0029867 RDKit 3D Isoelemicin 31 31 0 0 0 0 0 0 0 0999 V2000 4.7512 0.0233 -0.5735 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2973 -0.3027 -0.6451 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 0.5145 -0.1043 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9764 0.3148 -0.1036 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3506 -0.7678 -0.6773 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0367 -0.9272 -0.6583 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6270 -2.0367 -1.2504 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7956 -3.0061 -1.8755 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8304 0.0186 -0.0498 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2123 -0.0641 0.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9187 -0.6874 1.0488 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2173 1.1139 0.5323 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0246 2.0637 1.1441 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3870 3.1788 1.7357 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1705 1.2559 0.5031 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2512 -0.3255 -1.4999 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1972 -0.4100 0.3449 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9075 1.1250 -0.5219 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9354 -1.2016 -1.1342 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8327 1.4161 0.3827 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9507 -1.5111 -1.1536 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0194 -3.4006 -1.1742 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4009 -3.8093 -2.3061 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2384 -2.4602 -2.6682 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7228 -1.3247 0.5792 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3120 -1.3925 1.6488 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3905 0.0632 1.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1324 3.8683 2.1677 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6986 3.6882 1.0165 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7205 2.8492 2.5775 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6393 2.1340 0.9716 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 1 0 6 9 2 0 9 10 1 0 10 11 1 0 9 12 1 0 12 13 1 0 13 14 1 0 12 15 2 0 15 4 1 0 1 16 1 0 1 17 1 0 1 18 1 0 2 19 1 0 3 20 1 0 5 21 1 0 8 22 1 0 8 23 1 0 8 24 1 0 11 25 1 0 11 26 1 0 11 27 1 0 14 28 1 0 14 29 1 0 14 30 1 0 15 31 1 0 M END