HMDB0242266 RDKit 3D (+/-)-(e)-4-Ethyl-2-[(z)-hydroxyimino]-5-nitro-3-hexen-1-yl-nicotinamide 40 40 0 0 0 0 0 0 0 0999 V2000 -1.7469 4.8399 -0.3517 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1585 3.5090 0.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7377 2.4918 -0.6502 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9567 1.1634 -0.4132 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1209 0.2422 -0.7587 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4466 -1.1548 -0.4601 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5716 -1.4901 0.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8466 -2.9135 0.4269 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7885 -3.0942 1.6079 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4223 -3.5764 -0.7410 N 0 0 0 0 0 4 0 0 0 0 0 0 -2.8832 -4.5357 -1.2899 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6146 -3.0692 -1.2056 O 0 0 0 0 0 1 0 0 0 0 0 0 0.1199 0.6342 -1.4359 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3047 0.2373 -0.7030 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6125 0.5125 -1.1701 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7369 1.1349 -2.2812 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7999 0.1270 -0.4574 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7659 -0.5458 0.7455 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9742 -0.8766 1.3606 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2013 -0.5624 0.8224 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2051 0.0916 -0.3473 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0529 0.4206 -0.9581 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7227 5.1111 0.0097 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4966 5.5885 -0.0102 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6916 4.7905 -1.4548 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2746 3.4415 0.3042 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7524 3.3572 1.2528 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7258 -1.8993 -0.7628 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2845 -0.7611 0.4521 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8734 -3.3954 0.6853 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1849 -2.1127 1.9679 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2717 -3.5692 2.4493 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6832 -3.6740 1.2878 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1911 0.1835 -2.4651 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1687 1.7280 -1.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1672 -0.2654 0.1937 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8349 -0.8139 1.2068 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9253 -1.4083 2.3107 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1076 -0.8453 1.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0874 0.9585 -1.9197 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 3 5 6 1 0 6 7 2 3 7 8 1 0 8 9 1 0 8 10 1 0 10 11 2 0 10 12 1 0 5 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 17 1 0 1 23 1 0 1 24 1 0 1 25 1 0 2 26 1 0 2 27 1 0 6 28 1 0 7 29 1 0 8 30 1 0 9 31 1 0 9 32 1 0 9 33 1 0 13 34 1 0 13 35 1 0 14 36 1 0 18 37 1 0 19 38 1 0 20 39 1 0 22 40 1 0 M CHG 2 10 1 12 -1 M END