HMDB0033909 RDKit 3D 2'-Deoxymugineic acid 41 41 0 0 0 0 0 0 0 0999 V2000 5.4677 -0.8653 -2.8574 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8652 -1.2409 -1.8348 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6204 -2.5879 -1.6256 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4031 -0.2657 -0.8318 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7435 1.0148 -1.2320 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8921 -0.3923 -0.6071 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4700 0.6290 0.4306 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0738 0.6078 0.7249 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2729 1.0517 -0.3717 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2208 0.7802 -0.0626 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3519 -0.6803 0.1287 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5442 -1.2718 0.4145 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6587 -1.3843 -0.4384 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3448 -2.0517 0.7725 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3923 -1.0673 1.4981 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1144 0.1993 1.6805 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8264 0.3349 2.7039 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0816 1.2762 0.8122 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4623 2.4475 -0.7649 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2621 3.1810 -0.1507 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2381 2.9910 -1.8254 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2053 -2.9155 -0.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9475 -0.4626 0.1226 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3291 1.4872 -0.5914 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4317 -0.1302 -1.5857 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6804 -1.4189 -0.2974 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9868 0.2946 1.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8950 1.5832 0.1244 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9276 1.1588 1.6009 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4921 0.3870 -1.2395 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8191 1.2454 -0.8379 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3609 1.3037 0.9227 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9101 -1.1676 -0.7958 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5888 -0.9656 0.9163 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5914 -2.0628 -1.3084 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2418 -0.4939 -0.6981 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0378 -3.0900 0.9293 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4003 -1.8054 0.8878 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0507 -1.5629 2.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7306 2.1821 1.0906 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9238 3.7274 -1.7548 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 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 9 19 1 0 19 20 2 0 19 21 1 0 15 12 1 0 3 22 1 0 4 23 1 0 5 24 1 0 6 25 1 0 6 26 1 0 7 27 1 0 7 28 1 0 8 29 1 0 9 30 1 0 10 31 1 0 10 32 1 0 11 33 1 0 11 34 1 0 13 35 1 0 13 36 1 0 14 37 1 0 14 38 1 0 15 39 1 0 18 40 1 0 21 41 1 0 M END