HMDB0094770 RDKit 3D 6-hydroxyoct-5-enoylglycine 32 31 0 0 0 0 0 0 0 0999 V2000 -4.7525 1.5057 -0.1796 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6935 0.0841 -0.6585 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4134 -0.5556 -0.2721 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1726 -1.8673 -0.6245 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5091 0.1221 0.4039 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2540 -0.5351 0.7721 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0314 0.1599 0.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1660 -0.6621 0.6804 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4425 -0.1195 0.2033 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8292 1.1625 0.5287 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1880 -0.8681 -0.5232 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4537 -0.4931 -1.0648 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3736 -0.1513 0.0411 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9603 -0.2270 1.2196 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6810 0.2517 -0.1718 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6783 1.9838 -0.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6495 1.5732 0.9247 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9099 2.0818 -0.6311 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5453 -0.4874 -0.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7309 0.0897 -1.7668 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9399 -2.1638 -1.5607 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6635 1.1585 0.6996 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2532 -1.5752 0.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1461 -0.4279 1.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0094 0.1259 -0.9032 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0732 1.1849 0.6028 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1906 -0.6093 1.8084 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0346 -1.7149 0.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3574 2.0036 0.2324 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3713 0.4109 -1.7055 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8520 -1.3612 -1.6442 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3792 -0.0798 0.4779 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 2 3 5 6 1 0 6 7 1 0 7 8 1 0 8 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 2 20 1 0 4 21 1 0 5 22 1 0 6 23 1 0 6 24 1 0 7 25 1 0 7 26 1 0 8 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