HMDB0034345 RDKit 3D 7-Acetoxy-6-methoxycoumarin 27 28 0 0 0 0 0 0 0 0999 V2000 -1.2164 3.1178 -0.2422 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4070 1.7444 -0.3825 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3954 0.8005 -0.2921 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9185 1.1851 -0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9270 0.2267 0.0427 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2383 0.5805 0.2858 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1787 -0.4270 0.3595 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8321 -1.7517 0.1969 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7056 -2.6794 0.2660 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5688 -2.0191 -0.0314 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6260 -1.1107 -0.1134 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3017 -1.4493 -0.3574 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7077 -0.5359 -0.4499 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0300 -0.8630 -0.6927 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9515 -1.1353 0.3016 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3674 -1.4838 -0.0057 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5390 -1.0758 1.4921 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2344 3.4788 -0.6382 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3081 3.4010 0.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0143 3.7110 -0.7772 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1962 2.2220 0.0825 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4718 1.6151 0.4067 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2302 -0.1806 0.5514 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0688 -2.4895 -0.4786 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6850 -0.9817 -0.9418 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3794 -2.5872 -0.2158 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0282 -1.3128 0.8458 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 2 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 15 17 2 0 13 3 1 0 11 5 2 0 1 18 1 0 1 19 1 0 1 20 1 0 4 21 1 0 6 22 1 0 7 23 1 0 12 24 1 0 16 25 1 0 16 26 1 0 16 27 1 0 M END