HMDB0033360 RDKit 3D Isodomesticine 43 47 0 0 0 0 0 0 0 0999 V2000 2.8684 2.7786 0.4514 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8668 2.3230 -0.4862 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6473 1.9382 -0.1306 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2527 3.0161 0.0426 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1817 4.3281 -0.1711 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5620 2.8151 0.4203 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0276 1.5429 0.6404 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1413 0.4878 0.4675 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1915 0.6916 0.0795 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0216 -0.4812 -0.1218 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3113 -0.3267 -0.5579 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1196 -1.4420 -0.8059 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5920 -2.6919 -0.6048 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3096 -2.8832 -0.1724 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4873 -1.7548 0.0809 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8849 -2.0122 0.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6998 -0.8384 0.7442 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0038 -1.0030 0.0931 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8790 -1.1041 -1.3348 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9504 -0.0227 0.4886 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4176 1.2472 1.0456 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5950 -3.6207 -0.9225 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8159 -2.9261 -0.7813 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4215 -1.6182 -1.2370 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9199 2.1465 1.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6476 3.8380 0.6268 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8380 2.7079 -0.0789 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4737 5.0795 -0.0426 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2231 3.6929 0.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7365 0.5600 -0.7552 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8452 -3.8345 0.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3107 -2.7095 -0.2831 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8623 -2.6294 1.4817 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9728 -0.8060 1.8651 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9580 -0.6314 -1.7277 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7264 -0.5352 -1.7809 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9912 -2.1552 -1.6468 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6603 -0.4764 1.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6085 0.2324 -0.3866 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0624 2.1000 0.7531 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3976 1.1470 2.1692 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6290 -3.3399 -1.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0203 -2.8300 0.2999 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 4 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 13 22 1 0 22 23 1 0 23 24 1 0 9 3 1 0 15 10 1 0 21 7 1 0 17 8 1 0 24 12 1 0 1 25 1 0 1 26 1 0 1 27 1 0 5 28 1 0 6 29 1 0 11 30 1 0 14 31 1 0 16 32 1 0 16 33 1 0 17 34 1 0 19 35 1 0 19 36 1 0 19 37 1 0 20 38 1 0 20 39 1 0 21 40 1 0 21 41 1 0 23 42 1 0 23 43 1 0 M END