HMDB0031403 RDKit 3D Cyclohexaneacetic acid 24 24 0 0 0 0 0 0 0 0999 V2000 -2.4854 -1.1839 1.3798 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7386 -0.5851 0.2926 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9384 -0.8588 -0.3140 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7828 0.3484 -0.2787 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3942 -0.2425 -0.4495 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1779 -0.6901 0.8412 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6819 -0.7975 0.8514 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2488 0.5571 0.3978 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8883 0.6370 -1.0826 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4083 0.7977 -1.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6205 -0.1590 -0.5574 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6860 1.2470 0.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0637 0.7147 -1.3021 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5014 -1.1181 -1.1344 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1974 -1.7416 1.0213 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1202 -0.1257 1.7325 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0943 -1.5840 0.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0260 -0.9374 1.8888 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3439 0.5213 0.5692 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7535 1.3841 0.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3659 1.5283 -1.4923 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2595 -0.3144 -1.5131 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1209 0.7985 -2.2503 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1592 1.8041 -0.7644 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 5 1 0 3 11 1 0 4 12 1 0 4 13 1 0 5 14 1 0 6 15 1 0 6 16 1 0 7 17 1 0 7 18 1 0 8 19 1 0 8 20 1 0 9 21 1 0 9 22 1 0 10 23 1 0 10 24 1 0 M END