HMDB0094786 RDKit 3D 2,3-octadienoylglycine 29 28 0 0 0 0 0 0 0 0999 V2000 -3.6917 1.7503 0.7822 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8691 0.8760 -0.4252 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1584 -0.4437 -0.2525 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6528 -0.2296 -0.0428 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0654 -1.5540 0.1118 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0942 -1.7488 -0.4771 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2875 -1.8036 -1.0328 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3715 -1.3983 -0.1972 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0495 -2.3790 0.5226 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7512 -0.1504 -0.0811 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8454 0.2083 0.7704 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6067 1.3768 0.2521 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5890 1.7827 0.9150 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2122 1.9744 -0.9339 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9011 2.4876 0.5735 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4544 1.1356 1.6651 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6263 2.3094 1.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9410 0.6511 -0.5345 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5601 1.3816 -1.3702 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2872 -1.0328 -1.1843 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5739 -0.9582 0.6194 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5860 0.3885 0.8926 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2596 0.3341 -0.8843 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4175 -2.4006 0.6266 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2681 -2.1427 -2.0292 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5104 -3.1046 0.9348 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5378 0.3655 1.8275 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5678 -0.6437 0.7911 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3532 2.9679 -1.0549 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 1 0 5 6 2 0 6 7 2 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 3 21 1 0 4 22 1 0 4 23 1 0 5 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