HMDB0033927 RDKit 3D 3-Hydroxymugineic acid 43 43 0 0 0 0 0 0 0 0999 V2000 4.9420 1.1641 1.5901 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0073 0.2151 0.7935 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5360 0.3706 -0.4730 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5183 -1.1426 1.1603 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0343 -1.1125 2.4347 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6370 -1.7261 0.1129 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3941 -0.9188 -0.1966 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5131 -0.7345 0.8851 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3796 0.1074 0.7118 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6991 1.5014 0.4393 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9279 1.8540 0.3006 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1946 2.5415 0.3101 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4843 -0.4637 -0.3936 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8454 -1.7191 0.0125 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6116 0.4107 -0.8285 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6220 0.6767 0.1331 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3138 1.9292 -0.2507 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2777 1.1055 -1.0263 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6077 1.4439 -0.9616 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8806 0.0476 0.0637 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1589 -1.2668 -0.4587 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2812 -1.8107 -0.1218 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3756 -2.0121 -1.2785 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1335 0.9531 -1.1998 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4508 -1.7834 1.2012 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5227 -0.3923 2.9461 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3761 -2.7779 0.3634 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2289 -1.7771 -0.8327 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8453 -1.5637 -0.9593 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7161 -0.0349 -0.7564 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8250 -0.9203 1.8339 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2079 0.0756 1.6549 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0456 3.2887 -0.3761 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2119 -0.5459 -1.2868 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1712 -1.7110 0.9347 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1608 1.3380 -1.2964 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0904 -0.1598 -1.7013 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7735 2.4343 0.6535 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6771 2.6264 -0.8416 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8801 0.8020 -2.0091 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7085 2.3024 -0.4767 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4873 0.3225 0.9846 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0434 -2.9377 -1.1469 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 1 0 4 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 9 13 1 0 13 14 1 0 13 15 1 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 21 22 2 0 21 23 1 0 20 16 1 0 3 24 1 0 4 25 1 0 5 26 1 0 6 27 1 0 6 28 1 0 7 29 1 0 7 30 1 0 8 31 1 0 9 32 1 0 12 33 1 0 13 34 1 0 14 35 1 0 15 36 1 0 15 37 1 0 17 38 1 0 17 39 1 0 18 40 1 0 19 41 1 0 20 42 1 0 23 43 1 0 M END