HMDB0031362 RDKit 3D Cyclohexylethyl acetate 30 30 0 0 0 0 0 0 0 0999 V2000 4.3876 -0.2232 -0.8466 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5521 -0.1781 0.3831 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9992 -0.6831 1.4449 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2902 0.3990 0.4201 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5332 0.4101 1.6406 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2144 1.0753 1.4576 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6605 0.4177 0.4315 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9608 1.2211 0.3727 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6997 0.7071 -0.8468 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0591 -0.7400 -0.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7662 -1.5573 -0.4521 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0159 -0.9928 0.7397 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1043 -1.0820 -1.4788 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4500 -0.3152 -0.5397 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3294 0.7495 -1.4062 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1332 1.0234 2.3445 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4731 -0.6064 2.0524 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3850 2.1184 1.1335 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2948 1.1262 2.4404 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2015 0.4821 -0.5695 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6881 2.2797 0.2912 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5090 1.0018 1.3027 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9953 0.7770 -1.6951 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6518 1.2514 -1.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5433 -0.7980 0.4371 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7069 -1.1265 -1.3529 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0420 -2.6194 -0.2899 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2044 -1.4276 -1.3922 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1269 -1.6395 0.9029 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7256 -1.0508 1.6034 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 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 11 1 0 11 12 1 0 12 7 1 0 1 13 1 0 1 14 1 0 1 15 1 0 5 16 1 0 5 17 1 0 6 18 1 0 6 19 1 0 7 20 1 0 8 21 1 0 8 22 1 0 9 23 1 0 9 24 1 0 10 25 1 0 10 26 1 0 11 27 1 0 11 28 1 0 12 29 1 0 12 30 1 0 M END