HMDB0094761 RDKit 3D 5-hydroxyoct-3-enoylglycine 32 31 0 0 0 0 0 0 0 0999 V2000 -4.3756 0.6870 -1.4884 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8887 0.3971 -1.3153 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6545 -0.1874 0.0664 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1524 -0.4563 0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5389 0.7836 0.0118 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8223 -1.0653 1.4918 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3487 -1.5799 1.7815 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4057 -1.5504 0.7353 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5686 -0.7844 1.2455 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1586 -1.2603 2.4207 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0633 0.2458 0.7153 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6715 0.9389 -0.4661 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8758 1.4974 -1.1314 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0095 1.3165 -0.6288 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7597 2.2212 -2.3096 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4435 1.4324 -2.3312 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8667 -0.2678 -1.7804 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7634 1.1072 -0.5443 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3014 1.3308 -1.4156 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5711 -0.3409 -2.0738 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2221 -1.1513 0.0928 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0016 0.5310 0.8241 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9141 -1.1592 -0.6705 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0106 1.4011 0.6491 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5973 -1.0821 2.2467 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5015 -2.0024 2.7595 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7625 -2.5848 0.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0610 -1.0969 -0.2008 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2676 -2.2464 2.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9935 1.7972 -0.2718 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2183 0.2372 -1.1984 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4583 2.8914 -2.5979 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 4 6 1 0 6 7 2 3 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 5 24 1 0 6 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