HMDB0253556 RDKit 3D Ioxitalamic acid 33 33 0 0 0 0 0 0 0 0999 V2000 -4.6428 2.2071 0.0111 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5396 1.2905 -0.3545 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2329 1.0406 -1.6789 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8581 0.7196 0.5797 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7812 -0.1754 0.3005 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0323 -1.4445 -0.1839 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0100 -2.0753 -0.5172 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.0203 -2.3390 -0.4661 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3068 -3.6741 -0.9769 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4718 -4.5888 -0.1298 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4020 -3.9662 -2.3302 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2711 -1.8883 -0.2341 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8210 -3.2683 -0.6635 I 0 0 0 0 0 0 0 0 0 0 0 0 0.5476 -0.6272 0.2485 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9183 -0.1819 0.4783 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9442 -1.0396 0.2016 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1403 0.9846 0.9274 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3488 1.6463 1.2315 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5999 1.0601 0.6629 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7348 1.8137 1.0378 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4895 0.2487 0.5226 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0937 2.1957 1.2663 I 0 0 0 0 0 0 0 0 0 0 0 0 -5.4216 1.6886 0.6314 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2232 3.0791 0.5691 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1492 2.6074 -0.8914 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8017 1.4259 -2.4139 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1559 -3.4971 -2.8525 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4899 -1.0440 -0.6509 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4954 1.6945 2.3464 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3180 2.7233 0.8808 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6298 1.0405 -0.4441 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8253 0.0352 1.0134 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5481 2.3083 1.8784 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 3 4 5 1 0 5 6 2 0 6 7 1 0 6 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 8 12 2 0 12 13 1 0 12 14 1 0 14 15 1 0 15 16 1 0 15 17 2 3 17 18 1 0 18 19 1 0 19 20 1 0 14 21 2 0 21 22 1 0 21 5 1 0 1 23 1 0 1 24 1 0 1 25 1 0 3 26 1 0 11 27 1 0 16 28 1 0 18 29 1 0 18 30 1 0 19 31 1 0 19 32 1 0 20 33 1 0 M END