HMDB0033351 RDKit 3D Methoxybrassinin 31 32 0 0 0 0 0 0 0 0999 V2000 -3.8412 2.5552 0.5895 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0897 2.0207 -0.4655 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1295 1.0646 -0.3367 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7936 1.3432 -0.3031 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1158 0.1593 -0.1661 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3373 -0.1289 -0.0761 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1031 1.0744 -0.1514 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5249 1.0299 -0.0847 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4242 2.4022 -0.1695 S 0 0 0 0 0 0 0 0 0 0 0 0 4.3241 -0.5457 0.0933 S 0 0 0 0 0 0 0 0 0 0 0 0 6.1260 -0.3754 0.1571 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0757 -0.8659 -0.1155 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9565 -2.2425 0.0144 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0725 -3.0433 0.0378 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3044 -2.4343 -0.0715 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4384 -1.0692 -0.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3032 -0.2506 -0.2252 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3664 3.4504 1.0594 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0247 1.7637 1.3435 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8607 2.8796 0.2451 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3356 2.3134 -0.3708 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6371 -0.8763 -0.8462 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5867 -0.6117 0.9122 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6462 2.0153 -0.2569 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4588 0.5819 -0.3049 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4594 -0.4622 1.2132 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5633 -1.2523 -0.3817 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.6883 0.0987 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9547 -4.1275 0.1411 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1768 -3.0836 -0.0511 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3939 -0.5960 -0.2859 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 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 5 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 3 1 0 17 12 1 0 1 18 1 0 1 19 1 0 1 20 1 0 4 21 1 0 6 22 1 0 6 23 1 0 7 24 1 0 11 25 1 0 11 26 1 0 11 27 1 0 13 28 1 0 14 29 1 0 15 30 1 0 16 31 1 0 M END