HMDB0030791 RDKit 3D Dihydromethysticin 36 38 0 0 0 0 0 0 0 0999 V2000 5.3192 2.1596 -0.1698 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5049 1.5611 0.8038 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7375 0.4491 0.5142 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2877 -0.7287 0.3306 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4907 -1.9205 0.0244 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0089 -3.0459 -0.1541 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1097 -1.7166 -0.0559 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6213 -0.6891 0.8162 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1324 -0.6972 0.7215 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3887 -0.4341 -0.6646 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8655 -0.4769 -0.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5685 -1.6345 -0.7881 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9565 -1.6781 -0.7253 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6131 -0.4983 -0.4599 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9323 0.7072 -0.2582 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5500 0.6852 -0.3337 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8990 1.6742 -0.0187 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0969 1.1871 -0.5489 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9831 -0.2093 -0.3327 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2755 0.5969 0.4094 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6719 2.4878 -1.0047 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7958 3.0493 0.3012 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0697 1.4147 -0.5236 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3839 -0.7934 0.4153 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9041 -0.8842 1.8723 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3353 0.0545 1.3919 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2224 -1.6940 1.0246 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0087 -1.1563 -1.4117 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0235 0.5639 -0.9933 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0566 -2.5768 -0.9995 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5015 -2.5923 -0.8767 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0380 1.6338 -0.1738 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1567 1.3945 -1.6393 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9985 1.5339 0.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9023 1.4667 0.9897 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9619 0.8068 -0.6510 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 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 1 0 18 19 1 0 8 20 1 0 20 3 1 0 16 11 1 0 19 14 1 0 1 21 1 0 1 22 1 0 1 23 1 0 4 24 1 0 8 25 1 0 9 26 1 0 9 27 1 0 10 28 1 0 10 29 1 0 12 30 1 0 13 31 1 0 16 32 1 0 18 33 1 0 18 34 1 0 20 35 1 0 20 36 1 0 M END