HMDB0040254 RDKit 3D Butyl lactate 24 23 0 0 0 0 0 0 0 0999 V2000 3.1861 0.0427 -1.2584 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1740 0.2121 0.2404 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8828 -0.3656 0.8278 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7461 0.4016 0.1964 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5125 -0.0458 0.6651 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6374 0.5870 0.1541 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5499 1.5198 -0.6904 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0187 0.2038 0.5714 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7352 -0.2441 -0.6925 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0050 -0.8273 1.4993 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4222 -0.6913 -1.5991 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2047 -0.3199 -1.5844 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9622 1.0018 -1.7655 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0245 -0.3415 0.6657 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2885 1.2802 0.4753 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8995 -0.3019 1.9157 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8014 -1.4117 0.5096 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7688 0.2669 -0.8853 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8129 1.4825 0.4917 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5171 1.1159 0.9337 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6635 -0.7662 -0.4634 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0381 -0.9670 -1.1903 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8230 0.6154 -1.3597 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6733 -0.4612 2.3429 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 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 8 10 1 0 1 11 1 0 1 12 1 0 1 13 1 0 2 14 1 0 2 15 1 0 3 16 1 0 3 17 1 0 4 18 1 0 4 19 1 0 8 20 1 0 9 21 1 0 9 22 1 0 9 23 1 0 10 24 1 0 M END