HMDB0094802 RDKit 3D 3-octenoylglycine 31 30 0 0 0 0 0 0 0 0999 V2000 -4.5270 0.2074 1.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5015 0.1157 -0.3817 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0745 0.2615 -0.9236 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2451 -0.8615 -0.3303 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8617 -0.7176 -0.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1861 -0.5344 -0.0811 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5258 -0.4014 -0.6941 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1661 0.8904 -0.3852 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5529 2.0602 -0.7694 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2818 0.9341 0.2340 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0334 -0.1901 0.6935 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4194 0.2367 1.0422 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8134 1.4267 0.9279 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3111 -0.7180 1.5119 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4185 0.8203 1.4314 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5884 0.6258 1.4964 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6914 -0.7861 1.6071 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9478 -0.8473 -0.6999 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0810 0.9711 -0.8037 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7273 1.2468 -0.5891 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1259 0.1806 -2.0256 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1859 -0.6696 0.7764 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6737 -1.8458 -0.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7639 -0.7740 -1.9512 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0256 -0.4874 0.9897 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1304 -1.2670 -0.3451 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4015 -0.4804 -1.8022 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1294 2.8663 -0.9706 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5148 -0.6195 1.5965 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1369 -0.9930 -0.0673 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7849 -0.6507 2.4042 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 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 2 19 1 0 3 20 1 0 3 21 1 0 4 22 1 0 4 23 1 0 5 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