HMDB0094780 RDKit 3D 1,2-octadienoylglycine 29 28 0 0 0 0 0 0 0 0999 V2000 -3.1410 1.6533 0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3828 0.2129 0.3283 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4030 -0.7175 -0.3386 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9823 -0.4649 0.0674 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1078 -1.4555 -0.6651 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3177 -1.3154 -0.3549 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9472 -2.3270 0.1701 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5174 -3.3101 0.7952 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1068 -4.2913 1.2830 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0588 -0.1357 -0.5938 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5401 0.7141 0.4635 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2735 1.8608 -0.0765 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4136 2.0006 -1.3297 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8300 2.8170 0.7628 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5485 2.1734 0.8108 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6977 1.7700 -0.9818 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1209 2.1727 -0.0058 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4559 0.0040 1.4141 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3959 -0.0632 -0.0851 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6853 -1.7528 -0.0619 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4696 -0.6575 -1.4415 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8570 -0.6427 1.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6576 0.5525 -0.2276 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4657 -2.4642 -0.3824 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3322 -1.3277 -1.7491 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2633 0.1272 -1.5719 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2730 0.1190 1.0756 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7354 1.0026 1.1725 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4263 3.7456 0.7237 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 2 0 7 8 2 0 8 9 2 0 6 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 2 19 1 0 3 20 1 0 3 21 1 0 4 22 1 0 4 23 1 0 5 24 1 0 5 25 1 0 10 26 1 0 11 27 1 0 11 28 1 0 14 29 1 0 M END