HMDB0094798 RDKit 3D 5,6-octadienoylglycine 29 28 0 0 0 0 0 0 0 0999 V2000 3.2520 2.2102 -0.3114 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9306 0.9276 -0.4174 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4173 -0.0549 0.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7620 -0.9959 0.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7119 -1.6747 0.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3576 -0.9830 0.3293 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6196 -1.7877 -0.4756 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9780 -1.2504 -0.4647 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9847 -1.8897 -1.1649 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2540 -0.1921 0.1854 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5770 0.4048 0.2462 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4667 1.8654 0.0909 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5102 2.5788 0.1148 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2579 2.5120 -0.0833 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5726 2.6971 0.6367 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5263 2.9296 -1.1362 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1338 2.1410 -0.3646 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7775 0.6361 -0.9741 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1092 -1.1144 1.9385 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9888 -1.7677 -0.8577 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5855 -2.7004 0.6531 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0509 -1.0185 1.4028 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4075 0.0703 0.0349 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2277 -1.7980 -1.5322 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6532 -2.8205 -0.0791 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6818 -2.4775 -0.7765 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2493 -0.0179 -0.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9912 0.1140 1.2489 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1324 3.4566 0.3034 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 8 10 2 3 10 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 1 15 1 0 1 16 1 0 1 17 1 0 2 18 1 0 4 19 1 0 5 20 1 0 5 21 1 0 6 22 1 0 6 23 1 0 7 24 1 0 7 25 1 0 9 26 1 0 11 27 1 0 11 28 1 0 14 29 1 0 M END