HMDB0033014 RDKit 3D Hovenitin I 38 40 0 0 0 0 0 0 0 0999 V2000 4.4375 -2.3165 0.1065 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5832 -0.9368 0.0127 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5430 -0.0240 0.1046 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2255 -0.3709 0.3016 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2009 0.5429 0.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2135 0.1015 0.5986 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1040 0.8775 -0.2017 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4471 0.5230 -0.2321 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4555 1.4494 -0.3543 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7887 1.0750 -0.3826 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7589 2.0611 -0.5081 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1368 -0.2340 -0.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1332 -1.1992 -0.1638 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5359 -2.4984 -0.0721 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8155 -0.8165 -0.1374 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7259 -1.7591 -0.0121 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9294 -2.9795 -0.0698 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2971 -1.3520 0.1913 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2853 -1.4680 -1.0912 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5234 1.8675 0.2764 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8329 2.2858 0.0768 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0280 3.6546 -0.0230 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8203 1.3382 -0.0061 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1274 1.7067 -0.2029 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6431 -2.6454 0.8166 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2327 -2.7210 -0.9135 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4106 -2.7838 0.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0423 -1.4477 0.3905 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5266 0.1973 1.6453 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1821 2.4884 -0.4291 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1892 2.5304 0.2804 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1829 -0.5030 -0.3131 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0015 -3.2929 0.0243 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1660 -2.0292 0.9039 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2353 -0.5818 -1.5338 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7319 2.5908 0.3448 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9545 4.0064 -0.1673 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3999 2.6633 -0.2911 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 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 10 12 2 0 12 13 1 0 13 14 1 0 13 15 2 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 5 20 2 0 20 21 1 0 21 22 1 0 21 23 2 0 23 24 1 0 23 3 1 0 18 6 1 0 15 8 1 0 1 25 1 0 1 26 1 0 1 27 1 0 4 28 1 0 6 29 1 0 9 30 1 0 11 31 1 0 12 32 1 0 14 33 1 0 18 34 1 0 19 35 1 0 20 36 1 0 22 37 1 0 24 38 1 0 M END