HMDB0094788 RDKit 3D 2,5-octadienoylglycine 29 28 0 0 0 0 0 0 0 0999 V2000 4.2569 -1.1974 0.2497 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4874 0.2075 0.7683 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3375 1.0762 0.4099 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3212 0.6003 -0.2591 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1332 1.4342 -0.6474 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0504 0.7890 -0.0038 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0680 0.3278 -0.7002 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1724 -0.2830 0.0172 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1811 -0.3903 1.3929 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1627 -0.7322 -0.6558 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2684 -1.3397 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3898 -0.4055 0.2074 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4216 -0.8236 0.7821 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3635 0.9174 -0.2101 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3348 -1.6335 0.6837 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1550 -1.1746 -0.8377 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1053 -1.8739 0.5457 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6374 0.2323 1.8572 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3732 0.6291 0.2235 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3397 2.1213 0.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2779 -0.4346 -0.5749 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0658 1.3869 -1.7541 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2581 2.4801 -0.3478 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0283 0.7209 1.0565 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0660 0.4093 -1.7772 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4138 -0.8141 1.8943 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6400 -2.1682 -0.6363 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9206 -1.7280 0.9887 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9370 1.6665 0.3105 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 3 4 5 1 0 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 4 21 1 0 5 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