HMDB0094785 RDKit 3D 1,7-octadienoylglycine 29 28 0 0 0 0 0 0 0 0999 V2000 -4.6292 -0.3700 0.8889 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4534 -0.6553 -0.3799 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1353 -0.5469 -1.0432 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1322 -0.0787 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7441 0.0694 -0.6153 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1359 0.5552 0.5455 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4954 0.7200 0.0386 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0671 1.8832 0.0673 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4997 3.0564 -0.0622 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1881 -0.3974 -0.4867 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6276 -0.2571 -0.7007 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3343 -0.1480 0.5895 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6570 -0.1892 1.6446 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6938 -0.0027 0.7159 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7960 -0.0401 1.5012 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5946 -0.4510 1.3685 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3018 -0.9797 -0.9585 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1920 0.2301 -1.8528 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8388 -1.4764 -1.5613 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4416 0.9234 0.3257 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0825 -0.8436 0.7554 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3170 -0.8791 -0.9718 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7540 0.8368 -1.4108 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0608 -0.1561 1.3968 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2206 1.5281 0.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7474 -1.2952 -0.7262 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7460 0.7483 -1.2037 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0324 -1.0114 -1.3877 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3475 -0.7730 0.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 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 2 17 1 0 3 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