HMDB0240342 RDKit 3D N-Acetylkynurenine 32 32 0 0 0 0 0 0 0 0999 V2000 5.3665 0.4250 0.0461 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9721 0.9039 0.1056 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7482 2.1290 0.0630 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9215 -0.0331 0.2089 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5707 0.4705 0.2657 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7123 -0.0459 -0.8918 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6206 0.5978 -0.6484 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5606 1.8690 -0.5317 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8707 -0.0900 -0.5453 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9552 -1.4690 -0.6364 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1926 -2.0649 -0.5001 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3319 -1.3298 -0.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2301 0.0493 -0.1907 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0163 0.6789 -0.3213 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9147 2.0941 -0.2344 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9011 -0.0407 1.4912 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5366 -0.7803 2.2657 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4212 0.3021 1.7695 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0367 0.9725 0.7677 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8151 0.6092 -0.9537 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4751 -0.6568 0.2453 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1009 -1.0698 0.2421 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5131 1.5724 0.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6452 -1.1355 -0.8897 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0831 0.3060 -1.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1117 -2.1032 -0.8063 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2745 -3.1606 -0.5701 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2856 -1.8112 -0.1769 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1482 0.6259 -0.0116 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7466 2.5067 0.7071 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9960 2.7318 -1.0426 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7217 0.5828 2.6923 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 5 16 1 0 16 17 2 0 16 18 1 0 14 9 1 0 1 19 1 0 1 20 1 0 1 21 1 0 4 22 1 0 5 23 1 1 6 24 1 0 6 25 1 0 10 26 1 0 11 27 1 0 12 28 1 0 13 29 1 0 15 30 1 0 15 31 1 0 18 32 1 0 M END