HMDB0032378 RDKit 3D Methionyl butyrate 27 26 0 0 0 0 0 0 0 0999 V2000 4.7350 0.5120 0.5816 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3513 0.7205 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3890 -0.1300 0.7718 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9962 -0.0064 0.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7774 0.7661 -0.6782 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0745 -0.6732 0.8196 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4198 -0.5706 0.3719 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6008 -0.9787 -1.0384 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0358 -0.9137 -1.4458 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7059 0.7321 -1.2834 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.0283 1.3210 0.3573 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7729 -0.5164 0.9882 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9256 1.2006 1.4456 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4676 0.6905 -0.2191 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1018 1.8078 0.0516 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3779 0.3714 -1.0543 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4169 0.2327 1.8406 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7718 -1.1633 0.7777 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0316 -1.1956 1.0326 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7744 0.4774 0.4564 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0726 -0.2132 -1.7004 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1408 -1.9768 -1.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6040 -1.6568 -0.7827 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1944 -1.3120 -2.4864 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3627 2.1662 0.6244 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9768 0.5679 1.1727 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0611 1.8113 0.3742 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 0 4 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 1 12 1 0 1 13 1 0 1 14 1 0 2 15 1 0 2 16 1 0 3 17 1 0 3 18 1 0 7 19 1 0 7 20 1 0 8 21 1 0 8 22 1 0 9 23 1 0 9 24 1 0 11 25 1 0 11 26 1 0 11 27 1 0 M END