HMDB0094782 RDKit 3D 1,4-octadienoylglycine 29 28 0 0 0 0 0 0 0 0999 V2000 4.7427 -0.1798 0.3077 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6915 -0.8645 -0.5085 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3572 -0.8510 0.2213 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8729 0.5089 0.4663 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7573 0.9838 0.0171 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2040 0.2436 -0.8071 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5077 0.2082 -0.0613 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6415 0.9496 0.9837 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7976 1.9116 1.8001 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5028 -0.6347 -0.5818 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8415 -0.2127 -0.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5685 0.0225 0.4039 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0312 -0.1743 1.5032 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8787 0.4701 0.3764 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4765 0.8936 0.3621 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7376 -0.3667 -0.1348 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6936 -0.6264 1.3313 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9579 -1.8839 -0.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5539 -0.2883 -1.4595 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6728 -1.4939 -0.3324 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5144 -1.3362 1.2283 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5140 1.1725 1.0827 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4622 2.0347 0.2528 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4609 0.8363 -1.7455 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1126 -0.7676 -1.0782 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2836 -1.6526 -0.7986 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4050 -0.9932 -1.4348 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8594 0.7024 -1.5153 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1350 1.3880 -0.0019 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 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 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 6 25 1 0 10 26 1 0 11 27 1 0 11 28 1 0 14 29 1 0 M END