HMDB0037691 RDKit 3D Limocitrol 43 45 0 0 0 0 0 0 0 0999 V2000 5.6334 2.0766 1.2031 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6998 1.0207 0.2735 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6133 0.3312 -0.2055 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2948 0.6068 0.1851 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2034 -0.0415 -0.2574 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8010 0.2055 0.1177 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1430 -0.5375 -0.4241 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3910 -0.3786 -0.1436 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3591 -1.1860 -0.7389 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9578 -2.1640 -1.6388 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6440 -3.4751 -1.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6749 -0.9648 -0.3962 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6662 -1.7462 -0.9662 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0328 0.0200 0.5047 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3717 0.2218 0.8331 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1828 1.1205 0.1001 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0911 0.8245 1.1005 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4844 1.7988 1.9963 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7653 0.6155 0.7673 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8376 1.4164 1.3615 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1344 2.3088 2.1748 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5059 1.1938 1.0145 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 2.0179 1.6298 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4226 -1.0723 -1.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6822 -1.3914 -1.6048 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7848 -0.6835 -1.1116 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0502 -1.0176 -1.5472 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4787 1.6234 2.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5600 2.6751 1.2255 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7431 2.7411 1.0329 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2173 1.3988 0.8861 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9696 -3.5845 -0.1191 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1796 -4.2586 -1.7552 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5493 -3.6173 -1.1876 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5135 -2.4762 -1.6212 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5422 1.6205 -0.6531 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9887 0.6017 -0.4531 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5672 1.8818 0.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4677 1.9018 2.1979 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1402 2.7207 2.2763 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5852 -1.6245 -1.5703 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8169 -2.1953 -2.3225 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8548 -0.5288 -1.2116 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 9 12 1 0 12 13 1 0 12 14 2 0 14 15 1 0 15 16 1 0 14 17 1 0 17 18 1 0 17 19 2 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 5 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 26 3 1 0 22 6 2 0 19 8 1 0 1 28 1 0 1 29 1 0 1 30 1 0 4 31 1 0 11 32 1 0 11 33 1 0 11 34 1 0 13 35 1 0 16 36 1 0 16 37 1 0 16 38 1 0 18 39 1 0 23 40 1 0 24 41 1 0 25 42 1 0 27 43 1 0 M END