HMDB0060004 RDKit 3D Menthol-glucoronide 50 51 0 0 0 0 0 0 0 0999 V2000 -1.1146 3.3856 0.1542 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5845 2.3951 -0.9010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9367 1.8843 -0.4262 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9674 0.4062 -0.5692 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9704 -0.2714 0.4118 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2694 -1.6927 0.2806 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1332 -2.3657 -1.0301 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8273 -2.5584 1.4625 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7172 0.4075 0.2998 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6153 -0.1826 0.5332 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5552 0.9123 0.4360 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7687 0.4976 0.9817 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5773 1.6723 1.3331 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1529 2.8335 1.1335 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8422 1.5278 1.8995 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4515 -0.2516 -0.1355 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4846 -1.0644 0.3646 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4844 -0.9974 -0.9686 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4250 -0.3704 -2.2372 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1098 -1.2109 -0.4299 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0865 -2.4914 0.1076 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6319 1.2276 -1.0208 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0137 3.3395 0.2654 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4606 4.4015 -0.1471 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5965 3.1830 1.1361 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7164 2.9325 -1.8378 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1337 2.1397 0.6292 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7377 2.3158 -1.0267 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9735 0.0034 -0.2654 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8066 0.0353 -1.5937 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4771 0.0157 1.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4172 -1.7279 0.4246 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8343 -1.7302 -1.8746 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0282 -2.9298 -1.3865 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3380 -3.1660 -0.9636 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5918 -2.6125 2.2657 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7005 -3.6270 1.1217 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9343 -2.1548 1.9288 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7487 1.2874 1.0409 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7791 -0.5370 1.5602 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6235 -0.1682 1.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9955 0.8975 2.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9960 0.5357 -0.7376 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4362 -1.9280 -0.1044 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9773 -1.9894 -1.2073 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4947 -0.2555 -2.5357 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4293 -1.2130 -1.3012 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8707 -3.0303 -0.0933 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3959 1.6485 -1.0365 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8902 0.6411 -1.8888 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 1 0 6 8 1 0 5 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 12 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 9 22 1 0 22 2 1 0 20 10 1 0 1 23 1 0 1 24 1 0 1 25 1 0 2 26 1 0 3 27 1 0 3 28 1 0 4 29 1 0 4 30 1 0 5 31 1 0 6 32 1 0 7 33 1 0 7 34 1 0 7 35 1 0 8 36 1 0 8 37 1 0 8 38 1 0 9 39 1 0 10 40 1 1 12 41 1 1 15 42 1 0 16 43 1 6 17 44 1 0 18 45 1 6 19 46 1 0 20 47 1 6 21 48 1 0 22 49 1 0 22 50 1 0 M END