HMDB0094738 RDKit 3D 2-hydroxyoct-1-enoylglycine 32 31 0 0 0 0 0 0 0 0999 V2000 4.6958 -0.4771 -0.1782 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5884 0.0565 0.7804 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3061 -0.5656 0.3785 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1730 0.4563 0.3486 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0570 -0.2565 -0.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1307 0.6941 -0.4918 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7206 0.9185 0.8102 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3561 -0.3465 1.2556 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8287 -0.0844 1.3106 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3744 0.1197 2.4765 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5698 -0.0442 0.2086 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9450 0.3806 -1.6408 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3793 1.3419 -2.5423 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2929 -0.8398 -1.9088 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2529 -2.1012 -2.2899 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4984 0.2458 -0.1114 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2245 -0.3494 -1.2244 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9458 -1.4745 0.0245 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9289 -0.3596 1.7739 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5324 1.1305 0.7837 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3120 -1.2418 -0.4396 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9736 -1.2233 1.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4445 1.3227 -0.3123 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8203 0.7834 1.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4117 -0.3426 -1.4431 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1877 -1.2421 0.0088 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5859 1.7061 -0.6756 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4261 1.6567 0.7239 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0010 -0.3991 2.3265 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0621 -1.2445 0.7812 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0003 -0.7144 -0.3481 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7988 2.2296 -2.6003 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 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 6 12 1 0 12 13 1 0 12 14 2 0 14 15 2 0 1 16 1 0 1 17 1 0 1 18 1 0 2 19 1 0 2 20 1 0 3 21 1 0 3 22 1 0 4 23 1 0 4 24 1 0 5 25 1 0 5 26 1 0 6 27 1 0 7 28 1 0 8 29 1 0 8 30 1 0 11 31 1 0 13 32 1 0 M END