HMDB0094774 RDKit 3D 7-hydroxyoct-2-enoylglycine 32 31 0 0 0 0 0 0 0 0999 V2000 -5.2908 0.3861 0.3389 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9769 -0.2235 -0.2182 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0850 -0.5554 -1.5478 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9178 0.8061 0.1011 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5401 0.4624 -0.3626 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0525 -0.8012 0.3171 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2931 -1.1535 -0.1189 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3985 -1.4430 -0.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4929 -0.4200 -0.2126 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0431 0.7686 0.3916 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7024 -0.6115 -0.5031 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6452 0.4581 -0.1868 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0198 -0.0960 0.0703 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2588 -1.3186 -0.1234 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0270 0.7186 0.5144 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1701 0.4274 1.4286 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2654 1.4641 -0.0171 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1721 -0.1613 0.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8585 -1.1712 0.3679 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7303 0.1469 -2.1809 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2344 1.8028 -0.2921 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9588 0.8917 1.2354 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8743 1.3199 -0.1597 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5080 0.2993 -1.4652 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9198 -0.4675 1.4166 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8052 -1.5439 0.3008 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2233 -2.2840 -0.7595 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8155 -2.3086 -0.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5010 1.6324 0.0593 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7593 1.0898 -1.0985 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3593 1.1017 0.6342 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2675 0.7831 1.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 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 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