HMDB0094796 RDKit 3D 4,6-octadienoylglycine 29 28 0 0 0 0 0 0 0 0999 V2000 -5.7634 0.2274 -0.9854 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3095 0.0753 -1.0517 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5873 0.1847 0.0459 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1448 0.0374 0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4390 0.1475 1.0942 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0363 0.0182 1.1788 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5668 -0.2538 -0.1909 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0468 -0.4049 -0.2079 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6417 -0.6603 -1.4347 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7767 -0.3122 0.8311 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1925 -0.4471 0.8753 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8858 0.5771 0.0236 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1535 1.4013 -0.6041 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2685 0.6066 -0.0622 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2383 0.0164 -1.9679 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1954 -0.4957 -0.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0513 1.2476 -0.6443 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8120 -0.1253 -1.9825 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1041 0.3916 1.0039 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6698 -0.1629 -0.9334 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9473 0.3492 2.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5013 0.9290 1.6273 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2486 -0.8346 1.8534 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2291 0.5455 -0.8828 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1179 -1.2026 -0.5541 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6938 -1.6354 -1.7285 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5785 -1.4282 0.5648 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5267 -0.2488 1.9215 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7978 1.4569 0.1814 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 2 3 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 3 19 1 0 4 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