HMDB0062180 RDKit 3D N-Lactoylisoleucine 32 31 0 0 0 0 0 0 0 0999 V2000 -3.6380 -0.1005 0.4319 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8991 -0.3064 -0.8653 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5612 0.3818 -0.8919 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6831 1.8747 -0.7101 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5595 -0.1592 0.0945 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6892 0.6754 -0.0926 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7946 0.2958 0.7899 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7607 0.7074 1.9392 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9522 -0.5442 0.4129 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2162 0.3274 0.4325 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7815 -0.9036 -0.9329 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2751 -1.6023 -0.0727 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7933 -2.2281 -1.0217 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5521 -2.3105 0.7825 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5425 0.5460 0.3301 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0283 -1.0827 0.7621 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9803 0.2521 1.2552 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5611 0.1750 -1.6521 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8979 -1.3596 -1.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1284 0.2107 -1.9058 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9497 2.4499 -1.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5492 2.1819 0.3468 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6788 2.2549 -1.0162 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9707 -0.0130 1.1124 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4045 1.7388 0.0269 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0221 0.5308 -1.1395 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1211 -1.3898 1.0779 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1288 -0.2553 0.3202 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1491 0.9792 -0.4873 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2134 1.0268 1.2858 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6403 -1.2633 -1.2914 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2704 -3.0903 1.3491 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 1 0 7 8 2 0 7 9 1 0 9 10 1 0 9 11 1 0 5 12 1 0 12 13 2 0 12 14 1 0 1 15 1 0 1 16 1 0 1 17 1 0 2 18 1 0 2 19 1 0 3 20 1 6 4 21 1 0 4 22 1 0 4 23 1 0 5 24 1 1 6 25 1 0 6 26 1 0 9 27 1 1 10 28 1 0 10 29 1 0 10 30 1 0 11 31 1 0 14 32 1 0 M END