HMDB0094787 RDKit 3D 2,4-octadienoylglycine 29 28 0 0 0 0 0 0 0 0999 V2000 4.8744 0.1429 -0.2043 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9835 -0.9906 -0.7113 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9096 -1.2766 0.3442 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1230 -0.0495 0.5406 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8277 0.0565 0.3386 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0185 -1.0100 -0.1048 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2829 -0.9232 -0.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0842 0.2600 -0.1262 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6421 1.5010 0.2926 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3759 0.1187 -0.3958 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2220 1.2772 -0.2298 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6157 0.9977 -0.5636 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4718 1.9067 -0.4687 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9946 -0.2626 -0.9831 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9450 -0.1677 -0.2566 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7838 1.0467 -0.8344 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6427 0.4005 0.8438 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6216 -1.8793 -0.8912 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5051 -0.6286 -1.6356 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3362 -2.1042 -0.0319 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4210 -1.5060 1.3243 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6578 0.8698 0.8882 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4344 1.0646 0.5448 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4821 -1.9818 -0.2804 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7715 -1.8713 -0.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8228 2.3569 -0.2476 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0756 1.6295 0.8186 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7799 2.0761 -0.8944 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3900 -1.0534 -0.9419 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 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 2 19 1 0 3 20 1 0 3 21 1 0 4 22 1 0 5 23 1 0 6 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