HMDB0094743 RDKit 3D 2-hydroxyoct-6-enoylglycine 32 31 0 0 0 0 0 0 0 0999 V2000 5.9223 -0.1430 -0.7704 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5539 -0.1732 -0.1801 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4811 0.2287 -0.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1453 0.1549 -0.1352 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 -0.7373 -0.9225 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1170 -0.9401 -0.3653 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9399 0.3149 -0.2189 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3677 1.2544 0.6323 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3286 0.0117 0.2101 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1125 -0.7897 -0.5948 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8141 0.4734 1.3030 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1682 0.1685 1.7058 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1020 0.9275 0.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6802 1.6839 -0.0288 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4568 0.7984 1.0613 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4249 -1.1114 -0.5276 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5520 0.6541 -0.3835 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8859 -0.0572 -1.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4856 -0.5544 0.8389 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5220 0.6074 -1.8293 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3054 -0.2169 0.8935 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7716 1.2059 -0.0525 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1512 -0.3848 -1.9791 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7456 -1.7347 -0.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6726 -1.5960 -1.1047 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1274 -1.5396 0.5791 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9521 0.7700 -1.2551 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0430 1.6656 1.2292 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7234 -1.7230 -0.8023 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3255 0.3832 2.7857 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3849 -0.9226 1.5877 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8681 1.3211 1.8325 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 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 1 0 9 11 2 3 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 1 16 1 0 1 17 1 0 1 18 1 0 2 19 1 0 3 20 1 0 4 21 1 0 4 22 1 0 5 23 1 0 5 24 1 0 6 25 1 0 6 26 1 0 7 27 1 0 8 28 1 0 10 29 1 0 12 30 1 0 12 31 1 0 15 32 1 0 M END