HMDB0037212 RDKit 3D Menthyl lactate 40 40 0 0 0 0 0 0 0 0999 V2000 4.9223 -0.0353 0.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7713 0.9097 0.2466 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7830 1.2798 -1.0779 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4701 0.3404 0.6382 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2180 -0.0685 1.7949 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4737 0.2501 -0.3133 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1897 -0.2769 -0.0527 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0430 -1.5681 -0.8309 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3983 -2.0957 -0.4072 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6428 -3.4619 -0.9645 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4541 -1.1254 -0.8368 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8691 0.1818 -1.3271 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8552 0.7438 -0.3579 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5957 1.2229 0.8677 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6860 1.8584 1.8804 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6257 2.2474 0.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6957 -0.5256 1.5249 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8324 0.5979 0.6342 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0903 -0.7407 -0.2706 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9533 1.8302 0.8485 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3637 2.1655 -1.1617 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1866 -0.5751 1.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0427 -1.4373 -1.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7450 -2.2814 -0.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3808 -2.1656 0.6987 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6396 -3.4730 -1.4406 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6118 -4.2605 -0.1961 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8970 -3.6340 -1.7694 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0619 -1.5520 -1.6388 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1327 -0.8917 0.0094 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4317 0.0072 -2.3318 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7273 0.8904 -1.4432 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3885 1.6211 -0.8544 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1026 0.3666 1.3557 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2634 2.6540 2.4002 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4106 1.1208 2.6897 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1974 2.3394 1.4404 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6144 1.7686 0.2756 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7676 3.0480 1.2051 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3356 2.7246 -0.5281 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 2 0 4 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 14 16 1 0 13 7 1 0 1 17 1 0 1 18 1 0 1 19 1 0 2 20 1 0 3 21 1 0 7 22 1 1 8 23 1 0 8 24 1 0 9 25 1 1 10 26 1 0 10 27 1 0 10 28 1 0 11 29 1 0 11 30 1 0 12 31 1 0 12 32 1 0 13 33 1 6 14 34 1 0 15 35 1 0 15 36 1 0 15 37 1 0 16 38 1 0 16 39 1 0 16 40 1 0 M END