HMDB0094755 RDKit 3D 4-hydroxyoct-4-enoylglycine 32 31 0 0 0 0 0 0 0 0999 V2000 4.5787 0.9999 0.3124 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3608 -0.4681 0.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5199 -1.0034 -0.6139 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2079 -0.3018 -0.6307 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0593 -0.9438 -0.4883 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1054 -2.3085 -0.3201 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1806 -0.1518 -0.5203 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9889 -0.2620 0.7527 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2081 0.5991 0.5507 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0660 1.9560 0.3026 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3819 0.0827 0.6069 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5305 0.9341 0.4091 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7498 0.1966 0.0921 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8350 0.7875 -0.1086 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7232 -1.1827 0.0077 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6660 1.5793 0.4911 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3587 1.3900 1.0133 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9880 1.1804 -0.7143 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3662 -0.9760 0.4601 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8866 -0.6189 1.5063 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4104 -2.0956 -0.5871 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0437 -0.7150 -1.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2635 0.7862 -0.7698 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3142 -2.7570 0.5767 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8169 -0.5346 -1.3427 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0215 0.9193 -0.7168 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3377 -1.3027 0.9041 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4165 0.0484 1.6281 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6391 2.5758 0.9999 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6874 1.6179 1.2878 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3105 1.6190 -0.4452 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2789 -1.6507 -0.6752 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 2 3 5 6 1 0 5 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 3 21 1 0 3 22 1 0 4 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