HMDB0094768 RDKit 3D 6-hydroxyoct-3-enoylglycine 32 31 0 0 0 0 0 0 0 0999 V2000 -4.0858 1.0646 1.2476 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3102 -0.1026 0.7133 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8555 0.1813 -0.7211 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0141 0.3862 -1.4656 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1385 -1.0398 -1.2608 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9499 -1.3882 -0.4541 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2504 -1.4134 -0.9779 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4702 -1.7578 -0.2034 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4157 -0.6222 -0.2304 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9107 -0.1611 -1.4376 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7976 -0.0421 0.8436 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7168 1.0569 0.7707 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8469 0.8424 1.7018 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8933 -0.1783 2.3996 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8558 1.7692 1.8039 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4559 1.6929 0.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4177 1.6804 1.9141 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9598 0.6947 1.8135 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4010 -0.2488 1.3275 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9561 -0.9896 0.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2479 1.0952 -0.7833 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8657 1.0305 -2.1824 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8046 -0.8130 -2.2911 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8842 -1.8539 -1.3194 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0368 -1.6345 0.6013 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3714 -1.1728 -2.0274 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2275 -1.9844 0.8545 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9157 -2.6898 -0.6158 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5318 0.7103 -1.7938 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1165 1.2055 -0.2726 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2468 2.0208 1.0529 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8168 2.6613 1.3494 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 3 5 1 0 5 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 4 22 1 0 5 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