HMDB0039376 RDKit 3D Methyl dihydrophaseate 45 46 0 0 0 0 0 0 0 0999 V2000 6.0780 2.0191 -0.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8431 1.4613 -0.5725 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6806 0.7315 0.5805 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 0.5697 1.2841 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4184 0.1713 0.9915 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3159 0.3213 0.2814 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3862 1.0896 -0.9742 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0920 -0.2865 0.7879 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0845 -0.2266 0.1973 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2841 -0.8689 0.7717 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0242 -1.7243 1.8071 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9841 -1.6413 -0.3504 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3482 -2.9612 -0.5557 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3857 -1.7045 0.2235 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5805 -0.5796 0.9826 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3951 0.1245 1.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2737 0.7786 2.3897 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3632 1.1381 -0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5193 0.5718 -1.4049 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8677 0.7290 -1.7891 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0384 -0.8149 -1.6047 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1990 1.7553 -2.0601 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9550 3.1303 -0.9243 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9357 1.6403 -0.4311 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3851 -0.4034 1.9388 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4087 1.1764 -1.5109 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0643 0.6097 -1.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6770 2.1682 -0.7984 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1473 -0.8413 1.7388 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1653 0.3062 -0.7277 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6425 -1.3090 2.5978 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8372 -2.9563 -1.5488 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5310 -3.1102 0.1898 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0386 -3.8222 -0.5144 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4234 -2.5871 0.9077 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1486 -1.8091 -0.5942 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0649 0.0320 3.1779 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5838 1.6457 2.4159 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2835 1.2059 2.6546 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1762 1.8842 0.1917 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4178 1.7087 0.0626 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9484 1.2343 -2.1203 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0796 1.6798 -1.5818 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0535 -0.9038 -2.1088 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7630 -1.3325 -2.2924 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 6 2 0 6 7 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 19 20 1 0 19 21 1 0 16 10 1 0 21 12 1 0 1 22 1 0 1 23 1 0 1 24 1 0 5 25 1 0 7 26 1 0 7 27 1 0 7 28 1 0 8 29 1 0 9 30 1 0 11 31 1 0 13 32 1 0 13 33 1 0 13 34 1 0 14 35 1 0 14 36 1 0 17 37 1 0 17 38 1 0 17 39 1 0 18 40 1 0 18 41 1 0 19 42 1 0 20 43 1 0 21 44 1 0 21 45 1 0 M END