HMDB0060485 RDKit 3D L-Formylkynurenine 29 29 0 0 0 0 0 0 0 0999 V2000 2.0137 1.4482 0.8297 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6276 0.2085 0.4561 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7834 -0.5675 -0.5023 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4472 -0.8916 0.0947 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4128 -1.8448 0.9038 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7395 -0.1434 -0.2472 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6130 0.9834 -1.0689 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6773 1.7700 -1.3834 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9066 1.4540 -0.8847 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0663 0.3453 -0.0699 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9771 -0.4720 0.2597 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2211 -1.6231 1.0224 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3480 -1.9529 1.7863 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3360 -1.2268 1.9034 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9467 0.4575 -0.1856 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3420 1.6350 -0.3162 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7562 -0.5611 -0.6448 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9980 2.0853 0.0154 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0777 1.3401 1.2319 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7830 -0.4523 1.3529 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6797 -0.0452 -1.4395 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3292 -1.5283 -0.7372 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3407 1.2810 -1.4876 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5644 2.6543 -2.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8010 2.0418 -1.0968 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0297 0.0966 0.3077 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4793 -2.3895 1.0133 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3465 -2.9243 2.3148 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5678 -1.1781 -1.3971 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 1 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