HMDB0094784 RDKit 3D 1,6-octadienoylglycine 29 28 0 0 0 0 0 0 0 0999 V2000 5.0495 -0.0337 -0.6383 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6036 0.0039 -0.2962 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7750 -0.8882 -0.7809 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3212 -0.8590 -0.4433 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9761 0.2763 0.4775 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4984 0.2378 0.7622 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2386 0.4632 -0.4856 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6550 0.9666 -1.5184 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0841 1.4612 -2.5233 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6101 0.1474 -0.5131 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3840 0.3793 0.6784 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7950 -0.0004 0.4888 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1710 -0.4577 -0.6102 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6843 0.1526 1.5239 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3734 -1.0956 -0.6096 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6207 0.4881 0.1555 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2220 0.4018 -1.6427 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2455 0.7874 0.3652 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1251 -1.6542 -1.4276 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7280 -0.8995 -1.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0832 -1.7954 0.1512 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2582 1.2666 0.0432 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5258 0.1462 1.4347 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7955 0.9550 1.5649 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6793 -0.8083 1.1691 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0316 -0.2382 -1.3709 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3220 1.4355 1.0116 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8979 -0.2172 1.5037 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0607 -0.6214 2.0779 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 5 6 1 0 6 7 1 0 7 8 2 0 8 9 2 0 7 10 1 0 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 3 19 1 0 4 20 1 0 4 21 1 0 5 22 1 0 5 23 1 0 6 24 1 0 6 25 1 0 10 26 1 0 11 27 1 0 11 28 1 0 14 29 1 0 M END