HMDB0014492 RDKit 3D Nitisinone 33 34 0 0 0 0 0 0 0 0999 V2000 -1.8406 2.0490 -0.9275 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9942 0.9955 -0.3685 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7134 1.0230 0.9581 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1220 0.4738 0.7496 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0412 -0.4900 -0.4429 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7532 -1.2070 -0.5031 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6493 -2.3530 -0.2839 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5521 -0.2856 -0.8726 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3459 -0.9360 -0.3946 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4580 -2.1840 -0.0139 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9876 -0.3979 -0.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2074 0.9606 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4244 1.5037 0.2192 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5176 0.6826 0.2524 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8541 1.3070 0.5618 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0027 2.3031 -0.3751 F 0 0 0 0 0 0 0 0 0 0 0 0 4.6826 1.9045 1.8147 F 0 0 0 0 0 0 0 0 0 0 0 0 5.8759 0.3861 0.5841 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3460 -0.6386 0.0131 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0976 -1.1986 -0.2634 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1073 -2.6069 -0.5813 N 0 0 0 0 0 4 0 0 0 0 0 0 3.0121 -3.3541 -0.0991 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1953 -3.1948 -1.4054 O 0 0 0 0 0 1 0 0 0 0 0 0 -2.1868 0.3487 1.6441 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7335 2.0625 1.3442 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8240 1.3137 0.4608 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5125 -0.0170 1.6453 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9117 -1.1828 -0.4049 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2174 0.1537 -1.3503 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5579 -0.3057 -2.0138 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3813 1.6414 -0.0481 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5326 2.5592 0.4045 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1893 -1.3162 0.0462 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 15 17 1 0 15 18 1 0 14 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 21 23 1 0 8 2 1 0 20 11 1 0 3 24 1 0 3 25 1 0 4 26 1 0 4 27 1 0 5 28 1 0 5 29 1 0 8 30 1 0 12 31 1 0 13 32 1 0 19 33 1 0 M CHG 2 21 1 23 -1 M END