HMDB0037137 RDKit 3D Butyl butyryllactate 35 34 0 0 0 0 0 0 0 0999 V2000 -5.8524 0.5530 0.1912 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7417 0.7359 1.2021 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3806 0.6540 0.5443 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1900 -0.6743 -0.1119 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9451 -0.8257 -0.7476 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7089 -0.7535 -0.1336 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6866 -0.5341 1.1034 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5689 -0.9270 -0.8930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5137 -2.2837 -1.6048 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6892 -0.8151 -0.0747 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7270 0.0564 -0.2358 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6933 0.8488 -1.2129 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9012 0.1353 0.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8854 1.1778 0.2565 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0295 1.1654 1.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5564 0.8216 -0.8222 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1860 -0.5145 0.2695 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7593 1.1604 0.4489 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8317 0.0813 2.0746 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8329 1.7858 1.5878 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3079 1.4358 -0.2407 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5724 0.8145 1.2757 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9671 -0.7565 -0.9181 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4153 -1.5284 0.5775 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6662 -0.1765 -1.7086 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5144 -3.1110 -0.8638 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4462 -2.3392 -2.2116 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4055 -2.2861 -2.2164 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5422 0.3542 1.6836 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3994 -0.8555 0.6323 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4158 2.1825 0.2912 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3005 1.0097 -0.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8986 0.3825 2.0303 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1531 2.1230 1.7736 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9954 0.9035 0.7343 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 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 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 3 22 1 0 4 23 1 0 4 24 1 0 8 25 1 0 9 26 1 0 9 27 1 0 9 28 1 0 13 29 1 0 13 30 1 0 14 31 1 0 14 32 1 0 15 33 1 0 15 34 1 0 15 35 1 0 M END