HMDB0033555 RDKit 3D Isomugineic acid 42 42 0 0 0 0 0 0 0 0999 V2000 5.9434 -1.4518 -0.5681 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8542 -0.2172 -0.7833 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7947 0.4490 -1.5809 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7465 0.5137 -0.1843 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6981 1.8555 -0.5419 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3859 -0.1534 -0.5306 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3699 0.6821 0.1365 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0042 0.4335 0.0456 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4140 -0.7113 0.5992 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6995 -1.9799 -0.0968 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3491 -2.0352 -1.1920 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2863 -3.2128 0.3823 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0675 -0.6159 0.8817 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2266 0.4407 1.7932 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9271 -0.3583 -0.3002 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3046 -0.2646 0.0075 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8296 0.8272 0.7416 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0233 1.6020 -0.5703 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0947 0.1763 -1.1274 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5118 -0.2699 -1.1042 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2781 0.1153 -2.0121 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0042 -1.0944 -0.1145 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7487 0.3677 -1.2314 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7759 0.4940 0.9464 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7377 2.4896 0.2092 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5066 -1.1753 -0.0635 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3088 -0.1869 -1.6304 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5442 1.7449 -0.2335 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6606 0.7320 1.2232 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5252 0.8152 -0.8045 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8778 -0.8717 1.6439 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8737 -3.8736 0.8714 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3422 -1.5357 1.4404 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7273 1.2047 1.3754 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5817 0.5548 -0.8181 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8188 -1.1857 -1.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2195 1.4191 1.4098 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8012 0.5852 1.2324 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9564 2.1743 -0.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1173 2.1661 -0.8727 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5945 0.1290 -2.0964 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6785 -0.7784 0.5963 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 19 20 1 0 20 21 2 0 20 22 1 0 19 16 1 0 3 23 1 0 4 24 1 0 5 25 1 0 6 26 1 0 6 27 1 0 7 28 1 0 7 29 1 0 8 30 1 0 9 31 1 0 12 32 1 0 13 33 1 0 14 34 1 0 15 35 1 0 15 36 1 0 17 37 1 0 17 38 1 0 18 39 1 0 18 40 1 0 19 41 1 0 22 42 1 0 M END