HMDB0094804 RDKit 3D 5-octenoylglycine 31 30 0 0 0 0 0 0 0 0999 V2000 -3.9923 0.0812 1.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4700 -0.1547 -0.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5908 0.1049 -1.5076 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3921 0.5356 -1.5927 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4639 0.9296 -0.5464 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2286 0.0031 -0.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7388 0.4319 0.4682 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9365 -0.4267 0.4169 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7881 -1.7870 0.5820 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1073 0.0536 0.2239 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2746 -0.7877 0.1743 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4526 -0.1262 0.8111 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3803 1.0157 1.3098 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6502 -0.8198 0.8372 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8680 1.1283 1.3048 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8737 -0.2683 1.6729 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1402 -0.5464 1.2925 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4692 0.3940 -0.5318 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7507 -1.2549 -0.4213 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0583 -0.1196 -2.5438 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9709 0.6314 -2.6311 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0877 1.9785 -0.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7801 1.0521 0.4612 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2515 0.1107 -1.6237 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5815 -1.0274 -0.4587 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2094 0.2207 1.4433 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9575 1.4999 0.4121 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4926 -2.2352 1.4214 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0723 -1.7270 0.7379 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5304 -1.1034 -0.8669 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8757 -1.3902 0.0327 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 3 4 5 1 0 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 2 19 1 0 3 20 1 0 4 21 1 0 5 22 1 0 5 23 1 0 6 24 1 0 6 25 1 0 7 26 1 0 7 27 1 0 9 28 1 0 11 29 1 0 11 30 1 0 14 31 1 0 M END