HMDB0094767 RDKit 3D 6-hydroxyoct-2-enoylglycine 32 31 0 0 0 0 0 0 0 0999 V2000 -4.9758 -0.7301 0.5916 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8677 0.0943 -0.0232 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5778 -0.6879 0.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6771 -1.9212 -0.5093 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4832 0.1248 -0.5644 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1859 -0.6494 -0.4085 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8823 0.1073 -1.0742 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9213 0.5253 -0.3913 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9829 1.2759 -1.0472 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9050 1.5548 -2.3968 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9858 1.6770 -0.3783 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0596 1.3809 1.0336 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3328 -0.0733 1.1875 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4338 -0.5308 2.3544 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4807 -0.9429 0.1243 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9412 -0.1843 0.5852 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0788 -1.6440 -0.0353 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6551 -1.0053 1.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7483 1.0325 0.5302 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0710 0.2386 -1.1031 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3349 -0.8190 1.1987 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0458 -2.5907 0.1201 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4075 1.1357 -0.1438 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7536 0.1668 -1.6351 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0233 -0.7700 0.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3577 -1.6326 -0.9154 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8165 0.3198 -2.1174 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9561 0.2909 0.6709 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2908 2.3267 -2.6835 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1370 1.7149 1.5126 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9489 1.9694 1.4113 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0513 -1.7542 0.1314 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 2 3 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 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 8 28 1 0 10 29 1 0 12 30 1 0 12 31 1 0 15 32 1 0 M END