HMDB0001200 RDKit 3D N'-Formylkynurenine 29 29 0 0 0 0 0 0 0 0999 V2000 2.0386 1.4963 -3.3198 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6742 1.6264 -1.8848 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6719 0.5565 -1.5741 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1645 0.5533 -0.1868 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5346 1.4573 0.5445 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7312 -0.5069 0.2224 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0445 -1.5147 -0.7105 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8583 -2.5569 -0.3936 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3988 -2.6502 0.8578 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0922 -1.6594 1.7764 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2776 -0.6030 1.4813 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0572 0.3751 2.4773 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4357 0.3722 3.8181 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0506 -0.5458 4.3489 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9364 1.5118 -1.1086 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0416 1.2810 -1.7142 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0429 1.6349 0.2546 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4563 0.7620 -3.7768 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8728 2.4176 -3.7842 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2640 2.6275 -1.7116 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1523 0.5701 -2.3254 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1808 -0.4370 -1.7613 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5995 -1.4232 -1.7169 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0791 -3.3236 -1.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0619 -3.4835 1.1448 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5700 -1.8025 2.7569 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5420 1.2691 2.1919 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1866 1.2170 4.4562 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2589 0.7784 0.7865 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 4 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 2 15 1 0 15 16 2 0 15 17 1 0 11 6 1 0 1 18 1 0 1 19 1 0 2 20 1 0 3 21 1 0 3 22 1 0 7 23 1 0 8 24 1 0 9 25 1 0 10 26 1 0 12 27 1 0 13 28 1 0 17 29 1 0 M END