HMDB0094766 RDKit 3D 6-hydroxyoct-1-enoylglycine 32 31 0 0 0 0 0 0 0 0999 V2000 -4.1827 0.8653 -1.1999 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8767 -0.6080 -0.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7970 -0.6189 0.1821 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1254 0.0198 1.3383 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4258 -0.2792 -0.3653 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4777 -0.2396 0.8099 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9616 -0.1615 0.6293 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6945 0.9539 0.0075 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2271 2.1172 -0.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9747 3.3593 -0.1324 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0989 0.7284 -0.1394 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6114 -0.6134 0.0085 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0353 -0.7084 -0.0076 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7000 -1.0404 -1.1140 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8624 -0.4537 1.0953 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2513 0.9915 -1.2863 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5798 1.1952 -2.0372 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8360 1.4625 -0.3034 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8091 -0.9632 -0.3589 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6672 -1.2245 -1.7096 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7381 -1.7377 0.4929 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9693 -0.5561 2.1598 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1692 -1.1763 -0.9946 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4600 0.5903 -1.0258 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7718 -1.0023 1.5754 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7780 0.7660 1.3931 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2705 -1.0610 -0.0388 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4881 -0.4100 1.6139 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7269 1.5322 -0.3293 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2062 -1.1947 -0.9282 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1054 -1.1297 0.8231 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9520 0.5973 1.2475 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 3 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 2 0 8 11 1 0 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 2 20 1 0 3 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 7 28 1 0 11 29 1 0 12 30 1 0 12 31 1 0 15 32 1 0 M END