HMDB0094790 RDKit 3D 2,7-octadienoylglycine 29 28 0 0 0 0 0 0 0 0999 V2000 -5.0140 0.5385 0.6993 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2927 -0.4848 0.2313 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3775 -1.2686 1.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9415 -1.1980 0.5787 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5359 0.2382 0.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1370 0.4438 0.1194 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6303 -0.5459 -0.2681 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9836 -0.3210 -0.7272 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8101 -1.3667 -1.1423 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4903 0.8702 -0.7731 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8165 1.1409 -1.2173 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8218 0.9468 -0.1199 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3987 0.5907 0.9903 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1616 1.1740 -0.4025 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9280 0.8109 1.7527 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6808 1.1163 0.0965 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4142 -0.7148 -0.8206 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4318 -1.0178 2.1427 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7014 -2.3458 1.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3100 -1.8482 1.2144 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9133 -1.6417 -0.4421 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2189 0.7969 -0.0659 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6940 0.6264 1.6198 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2739 1.4437 0.0861 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2526 -1.5481 -0.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3729 -1.3172 -1.9826 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8612 2.2267 -1.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1194 0.5765 -2.1168 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5983 2.0780 -0.3931 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 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 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 7 25 1 0 9 26 1 0 11 27 1 0 11 28 1 0 14 29 1 0 M END