HMDB0029179 RDKit 3D 4'-O-methyl-(-)-epicatechin 38 40 0 0 0 0 0 0 0 0999 V2000 5.8711 1.2826 1.6276 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3603 0.8228 0.4110 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0132 0.4851 0.2482 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1186 0.5918 1.2923 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7903 0.2586 1.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2834 -0.1965 -0.0722 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1448 -0.5417 -0.2049 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9395 0.4817 0.3985 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3105 0.2781 0.4292 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1307 0.8848 1.3693 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4953 0.6804 1.3976 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2870 1.2981 2.3456 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0107 -0.1672 0.4335 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2263 -0.7897 -0.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7944 -1.6209 -1.4513 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8619 -0.5604 -0.5158 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0505 -1.2449 -1.5521 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6195 -0.7371 -1.6004 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6205 0.4452 -2.3358 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1779 -0.3029 -1.1153 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5212 0.0332 -0.9553 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4114 -0.0783 -2.0126 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2340 2.0276 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8703 1.7512 1.3994 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0471 0.3900 2.2929 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5058 0.9491 2.2448 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0885 0.3427 1.9514 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3759 -1.4967 0.3541 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6923 1.5392 2.1051 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8707 1.8990 3.0182 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0823 -0.3364 0.4446 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7729 -1.7812 -1.4483 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9700 -2.3199 -1.2205 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5174 -1.1974 -2.5581 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0110 -1.5076 -2.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7041 0.2730 -3.2972 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8194 -0.6564 -2.0793 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3756 0.1498 -1.9433 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 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 11 13 2 0 13 14 1 0 14 15 1 0 14 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 6 20 1 0 20 21 2 0 21 22 1 0 21 3 1 0 18 7 1 0 16 9 1 0 1 23 1 0 1 24 1 0 1 25 1 0 4 26 1 0 5 27 1 0 7 28 1 1 10 29 1 0 12 30 1 0 13 31 1 0 15 32 1 0 17 33 1 0 17 34 1 0 18 35 1 6 19 36 1 0 20 37 1 0 22 38 1 0 M END