HMDB0094793 RDKit 3D 3,6-octadienoylglycine 29 28 0 0 0 0 0 0 0 0999 V2000 4.8680 -0.0720 -0.3848 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1684 -0.4127 0.8667 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8643 -0.4938 0.9082 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0901 -0.2293 -0.3608 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2154 0.9073 -0.0745 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0768 0.8648 -0.1525 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9069 -0.2910 -0.5314 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7947 -0.5800 0.6274 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1726 -0.8886 1.8303 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0553 -0.5364 0.4836 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6411 -0.2122 -0.7817 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1318 -0.3333 -0.6129 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8460 -0.0922 -1.6029 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7039 -0.6976 0.5899 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9780 -0.0246 -0.2284 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5822 0.9037 -0.8091 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6377 -0.8805 -1.1356 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7557 -0.5953 1.7547 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3092 -0.7468 1.8299 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5448 -1.1638 -0.5663 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8193 -0.0015 -1.1931 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6645 1.8798 0.2315 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6631 1.7817 0.0849 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3527 -1.2040 -0.7774 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5446 -0.0138 -1.4338 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7021 -0.7091 2.6721 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3732 0.7916 -1.1661 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3267 -0.9530 -1.5383 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2061 -0.7051 1.4704 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 3 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 1 17 1 0 2 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