HMDB0059825 RDKit 3D Isoamyl lactate 27 26 0 0 0 0 0 0 0 0999 V2000 -3.4665 0.8273 0.5028 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5969 -0.3808 0.1773 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7387 -0.8372 -1.2344 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1702 0.0207 0.5107 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1928 -1.0796 0.2384 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1005 -0.6556 0.5672 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7977 0.3881 0.0104 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2619 1.0668 -0.8999 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1612 0.6778 0.5043 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1294 0.5921 -0.6736 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4916 -0.2193 1.4981 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3138 1.5603 -0.3012 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0296 1.2729 1.4326 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5241 0.5433 0.6624 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9383 -1.1906 0.8479 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7663 -0.6971 -1.5876 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5245 -1.9265 -1.2794 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0856 -0.2496 -1.9295 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8609 0.9187 -0.0545 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1547 0.3293 1.5868 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2605 -1.3522 -0.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3928 -1.9963 0.8327 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2087 1.7363 0.8645 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8224 -0.3162 -1.2435 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9902 1.5276 -1.2504 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1495 0.4844 -0.2626 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9033 -1.0446 1.1477 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 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 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 5 21 1 0 5 22 1 0 9 23 1 0 10 24 1 0 10 25 1 0 10 26 1 0 11 27 1 0 M END