HMDB0000678 RDKit 3D Isovalerylglycine 24 23 0 0 0 0 0 0 0 0999 V2000 -1.6975 1.1355 -0.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9794 -0.0501 0.0558 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2692 -0.6659 -0.3895 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8431 -1.0292 -0.0055 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4145 -0.3843 0.4404 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3924 0.8306 0.7970 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6553 -1.0759 0.4856 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8653 -0.4129 0.9272 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1816 0.7511 0.0615 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4056 1.0036 -0.8933 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2954 1.5452 0.2864 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9305 0.9455 -1.5953 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3886 2.0384 -0.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6260 1.4546 -1.3902 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0365 0.3019 1.1245 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0954 -0.1872 0.1798 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4119 -0.4683 -1.4795 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3332 -1.7516 -0.1624 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7690 -1.4517 -1.0286 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0818 -1.8875 0.6735 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6754 -2.0770 0.1922 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7001 -1.1084 1.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6278 0.0044 1.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2488 2.5391 0.4228 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 1 12 1 0 1 13 1 0 1 14 1 0 2 15 1 0 3 16 1 0 3 17 1 0 3 18 1 0 4 19 1 0 4 20 1 0 7 21 1 0 8 22 1 0 8 23 1 0 11 24 1 0 M END