HMDB0041953 RDKit 3D Nnal-N-oxide 31 31 0 0 0 0 0 0 0 0999 V2000 -4.4622 0.1391 -1.2778 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6213 -0.2913 -0.1781 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2438 0.1144 -0.0402 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4006 -0.5202 -1.1354 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0344 -0.0773 -0.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6248 -0.4475 0.3407 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6414 -1.7989 0.5994 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0477 0.0413 0.3477 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0396 -0.6977 -0.2367 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3684 -0.2692 -0.2497 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6249 0.9405 0.3576 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6479 1.6681 0.9324 N 0 0 0 0 0 4 0 0 0 0 0 0 3.9594 2.8906 1.5359 O 0 0 0 0 0 1 0 0 0 0 0 0 2.3747 1.2392 0.9351 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1805 -1.1391 0.7734 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1143 -0.8082 1.9849 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3993 0.6135 -0.8807 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9721 0.8637 -1.9435 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7846 -0.7976 -1.8038 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2010 1.2088 -0.2267 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8935 -0.1655 0.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7630 -0.0810 -2.0884 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4961 -1.6120 -1.1693 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6594 -0.5273 -1.7807 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0406 1.0229 -1.0996 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1083 0.1285 1.1497 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1619 -2.3508 -0.0689 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8088 -1.6581 -0.7163 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1600 -0.8472 -0.7066 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6382 1.3664 0.4021 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5918 1.8517 1.4086 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 1 0 5 6 1 0 6 7 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 12 14 2 0 2 15 1 0 15 16 2 0 14 8 1 0 1 17 1 0 1 18 1 0 1 19 1 0 3 20 1 0 3 21 1 0 4 22 1 0 4 23 1 0 5 24 1 0 5 25 1 0 6 26 1 0 7 27 1 0 9 28 1 0 10 29 1 0 11 30 1 0 14 31 1 0 M CHG 2 12 1 13 -1 M END