HMDB0040790 RDKit 3D 4-Methoxybrassinin 31 32 0 0 0 0 0 0 0 0999 V2000 -2.3804 3.0682 0.1253 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6520 1.8742 0.0929 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1950 0.6073 0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5542 0.4202 0.1118 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0331 -0.8751 0.1032 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1614 -1.9243 0.0698 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7853 -1.7527 0.0434 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7342 -2.5807 0.0095 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4375 -1.8785 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0732 -0.5588 0.0216 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9735 0.5980 0.0194 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3747 0.2397 -0.0151 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3732 1.2460 -0.0215 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9009 2.8088 0.0111 S 0 0 0 0 0 0 0 0 0 0 0 0 5.1210 0.8280 -0.0642 S 0 0 0 0 0 0 0 0 0 0 0 0 5.2656 -0.9850 -0.0936 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3011 -0.4556 0.0519 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7087 3.8567 0.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5101 3.3998 -0.9426 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3223 3.0162 0.6732 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2210 1.2650 0.1379 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1114 -1.0931 0.1227 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5169 -2.9504 0.0625 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8137 -3.6199 -0.0039 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4254 -2.3308 -0.0322 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8400 1.2616 0.8964 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7066 1.2463 -0.8677 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6906 -0.7460 -0.0361 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3360 -1.2554 -0.1952 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8411 -1.3707 0.8636 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6414 -1.3591 -0.9297 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 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 10 17 1 0 17 3 1 0 17 7 2 0 1 18 1 0 1 19 1 0 1 20 1 0 4 21 1 0 5 22 1 0 6 23 1 0 8 24 1 0 9 25 1 0 11 26 1 0 11 27 1 0 12 28 1 0 16 29 1 0 16 30 1 0 16 31 1 0 M END