HMDB0260423 RDKit 3D N-[(2R)-4-(Hydroxymethyl)-3-oxo-1-sulfanylhex-4-en-2-yl]acetamide 29 28 0 0 0 0 0 0 0 0999 V2000 3.9896 -0.6166 -0.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6385 -0.3125 -1.2002 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6132 -0.0294 -0.3796 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8798 -0.0320 1.0644 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0799 -0.9798 1.7262 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3237 0.2292 -0.9577 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1728 0.1675 -2.2021 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8486 0.5671 -0.1406 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1968 2.0486 -0.2313 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1160 3.1390 0.3132 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.0549 -0.0947 -0.6840 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7388 -0.9883 0.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9620 -1.6820 -0.3328 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3522 -1.2254 1.3474 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9270 -1.5090 0.0149 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4149 0.2182 -0.0762 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7030 -0.8146 -1.4858 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5035 -0.3260 -2.2771 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6350 0.9463 1.5107 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9556 -0.2325 1.2683 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1820 -1.8821 1.3093 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7185 0.2088 0.8812 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1118 2.1766 0.4051 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4614 2.3105 -1.2748 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4643 4.1540 1.1114 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3942 0.0739 -1.6307 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8640 -1.0880 -0.0784 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0727 -2.6976 0.1166 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8942 -1.7293 -1.4354 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 3 3 4 1 0 4 5 1 0 3 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 10 1 0 8 11 1 0 11 12 1 0 12 13 1 0 12 14 2 0 1 15 1 0 1 16 1 0 1 17 1 0 2 18 1 0 4 19 1 0 4 20 1 0 5 21 1 0 8 22 1 0 9 23 1 0 9 24 1 0 10 25 1 0 11 26 1 0 13 27 1 0 13 28 1 0 13 29 1 0 M END