HMDB0243965 RDKit 3D 1-Nitrohydroxyphenyl-N-benzoylalanine 38 39 0 0 0 0 0 0 0 0999 V2000 -1.0597 -1.3618 -1.5503 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3997 -0.9397 -0.4229 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6244 -1.2686 0.6985 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5724 -2.0822 0.6448 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7784 -1.3044 1.1793 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0287 -0.0783 0.3881 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4457 1.1228 0.7148 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7059 2.2405 -0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5449 2.1843 -1.1441 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8129 3.3160 -1.9236 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1334 0.9880 -1.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9956 0.9462 -2.6115 N 0 0 0 0 0 4 0 0 0 0 0 0 3.8270 1.6729 -3.5908 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0526 0.0541 -2.5945 O 0 0 0 0 0 1 0 0 0 0 0 0 2.8630 -0.1230 -0.7051 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4432 -3.3193 1.4417 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6275 -3.5330 2.0519 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4562 -4.2485 1.5398 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5890 -0.1215 -0.3153 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3395 0.1881 -1.4599 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4772 0.9604 -1.4211 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9320 1.4702 -0.2266 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2207 1.1869 0.9176 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0724 0.4043 0.8601 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9160 -0.9133 1.6272 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7894 -2.4077 -0.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6573 -1.9660 1.2508 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4695 -0.9906 2.2187 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7742 1.2350 1.5663 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2399 3.1860 0.2176 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3726 4.1756 -1.6589 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3495 -1.0443 -1.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9555 -4.4884 2.3663 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9971 -0.2046 -2.4112 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0206 1.1666 -2.3559 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8376 2.0822 -0.2122 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5952 1.5982 1.8507 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5592 0.2168 1.7846 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 7 8 1 0 8 9 2 0 9 10 1 0 9 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 11 15 2 0 4 16 1 0 16 17 2 0 16 18 1 0 2 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 15 6 1 0 24 19 1 0 3 25 1 0 4 26 1 0 5 27 1 0 5 28 1 0 7 29 1 0 8 30 1 0 10 31 1 0 15 32 1 0 18 33 1 0 20 34 1 0 21 35 1 0 22 36 1 0 23 37 1 0 24 38 1 0 M CHG 2 12 1 14 -1 M END