HMDB0094794 RDKit 3D 3,7-octadienoylglycine 29 28 0 0 0 0 0 0 0 0999 V2000 -5.4441 -0.3091 -0.4571 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2345 -0.5132 -0.9395 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0810 -0.6061 -0.0157 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1064 0.5078 -0.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9226 0.4632 0.5088 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2815 0.2844 0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4782 0.2400 0.9482 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1880 -1.0337 0.8562 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5405 -2.2274 1.1198 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4241 -1.0667 0.5298 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1978 0.1159 0.2343 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8635 0.5717 -1.1337 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0494 -0.0329 -1.8401 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4923 1.7131 -1.6204 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6419 -0.2028 0.6136 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2685 -0.2467 -1.1713 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0649 -0.6145 -1.9942 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5373 -1.5685 -0.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3866 -0.4450 1.0376 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6421 1.4737 -0.2774 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8243 0.4076 -1.4553 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0924 0.5839 1.5712 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4349 0.1654 -1.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0908 1.1128 0.6429 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1133 0.3759 1.9849 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9398 -2.3740 1.9224 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2947 -0.1515 0.1998 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0729 0.9093 1.0078 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7848 2.4674 -0.9954 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 2 3 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 2 17 1 0 3 18 1 0 3 19 1 0 4 20 1 0 4 21 1 0 5 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