HMDB0094772 RDKit 3D 6-hydroxyoct-7-enoylglycine 32 31 0 0 0 0 0 0 0 0999 V2000 3.6817 -1.5481 -0.9396 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4743 -0.6479 -0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5304 0.4718 -0.2915 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2135 1.6039 -0.7442 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7585 0.7446 0.9642 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9948 -0.4736 1.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0098 -0.9353 0.3656 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0266 0.1187 0.0202 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9406 -0.4464 -0.9954 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5056 -0.8803 -2.2338 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1913 -0.5429 -0.7272 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7952 -0.1331 0.5203 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8055 1.3508 0.5431 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2927 1.9189 1.5501 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3046 2.1166 -0.4912 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3635 -2.3576 -0.7311 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1779 -1.4638 -1.8812 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9773 -0.7137 0.9682 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8182 0.2215 -1.0967 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9042 1.9189 -0.1088 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0593 1.5849 0.7718 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4491 1.1001 1.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4598 -0.2122 2.3449 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6688 -1.3439 1.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5676 -1.2200 -0.5464 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4974 -1.8793 0.7028 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5390 0.4612 0.9215 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4672 0.9921 -0.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8267 -1.7907 -2.5435 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2681 -0.5007 1.4119 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8599 -0.5013 0.4866 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7885 2.9868 -0.7415 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 3 5 1 0 5 6 1 0 6 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 2 18 1 0 3 19 1 0 4 20 1 0 5 21 1 0 5 22 1 0 6 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