HMDB0038575 RDKit 3D (Z)-N-Feruloyl-5-hydroxyanthranilic acid 39 40 0 0 0 0 0 0 0 0999 V2000 5.6180 -0.3317 -1.8206 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8758 -0.3663 -0.4259 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7911 -0.3089 0.4374 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4733 -0.2192 -0.0379 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4102 -0.1633 0.8309 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0249 -0.0695 0.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6460 -0.0293 -0.8755 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7449 0.0651 -1.3572 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8530 0.0883 -2.6064 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8475 0.1235 -0.4888 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2159 0.2144 -0.8121 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6591 0.2595 -2.1267 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9864 0.3485 -2.5096 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9323 0.3956 -1.5213 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2829 0.4856 -1.8682 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5406 0.3538 -0.2083 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1924 0.2634 0.1767 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9091 0.2272 1.5894 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9123 0.2802 2.4017 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6982 0.1423 2.2281 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7102 -0.2000 2.1809 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9757 -0.2868 2.6929 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0266 -0.3415 1.7931 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3404 -0.4304 2.2287 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0010 0.5611 -2.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0907 -1.2689 -2.1586 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5502 -0.2779 -2.4083 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3436 -0.1972 -1.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2398 -0.0298 1.1302 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4310 -0.0692 -1.6227 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6131 0.0953 0.5283 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9404 0.2243 -2.9263 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2814 0.3807 -3.5551 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7463 1.3923 -1.9901 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3109 0.3927 0.5542 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4502 -0.7797 2.6148 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8594 -0.1550 2.8629 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1886 -0.3142 3.7558 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5204 -0.4548 3.2187 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 18 20 1 0 5 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 23 3 1 0 17 11 1 0 1 25 1 0 1 26 1 0 1 27 1 0 4 28 1 0 6 29 1 0 7 30 1 0 10 31 1 0 12 32 1 0 13 33 1 0 15 34 1 0 16 35 1 0 20 36 1 0 21 37 1 0 22 38 1 0 24 39 1 0 M END