HMDB0094739 RDKit 3D 2-hydroxyoct-2-enoylglycine 32 31 0 0 0 0 0 0 0 0999 V2000 -4.7465 0.0497 -1.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4308 0.3755 -1.9404 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3661 -0.5373 -1.3187 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3545 -0.2143 0.1596 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3382 -1.0508 0.9047 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0354 -0.8535 0.4275 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9917 -0.4154 1.2086 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6781 -0.1277 2.5497 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3515 -0.2229 0.7256 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6223 -0.5182 -0.6061 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2941 0.2090 1.4959 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6410 0.4143 1.0715 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7502 1.3780 -0.0497 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6910 1.8903 -0.4893 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9417 1.7421 -0.6343 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9235 0.6929 -0.3739 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8030 -0.9962 -0.9301 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5627 0.1976 -2.0312 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4634 0.2844 -3.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1103 1.4122 -1.6743 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7278 -1.5693 -1.5036 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4200 -0.3095 -1.8154 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1022 0.8503 0.3308 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3522 -0.4695 0.5706 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5703 -2.1416 0.7995 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3754 -0.8377 1.9915 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2477 -1.0835 -0.6105 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1662 0.7022 2.8163 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2938 -1.4300 -0.9273 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0466 -0.5582 0.7268 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2807 0.7657 1.8805 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6149 2.3714 -0.2291 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 1 0 6 7 2 3 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 2 20 1 0 3 21 1 0 3 22 1 0 4 23 1 0 4 24 1 0 5 25 1 0 5 26 1 0 6 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