HMDB0033868 RDKit 3D beta-O-Methylynephrine 28 28 0 0 0 0 0 0 0 0999 V2000 -1.5274 -2.1190 -0.3149 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3806 -1.0160 -0.4755 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8938 0.2167 -0.9439 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9862 0.9917 -0.0329 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6181 2.1960 -0.6511 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8078 3.3009 0.1313 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3126 0.2545 0.1089 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0999 0.1483 -1.0423 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3259 -0.4873 -1.0119 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7398 -1.0092 0.1896 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9640 -1.6495 0.2421 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9839 -0.9181 1.3376 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7583 -0.2777 1.2879 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6357 -2.1400 -0.9569 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1946 -2.2777 0.7472 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0840 -3.0722 -0.5392 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3177 -1.0329 -0.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7086 0.9157 -1.2697 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3656 0.0019 -1.9314 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3784 1.1603 0.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2194 3.2729 1.0843 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3775 4.1649 -0.4505 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8394 3.5567 0.3667 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7391 0.5694 -1.9602 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9668 -0.5959 -1.8661 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9818 -2.6372 0.0612 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3332 -1.3351 2.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1298 -0.1820 2.1636 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 10 12 1 0 12 13 2 0 13 7 1 0 1 14 1 0 1 15 1 0 1 16 1 0 2 17 1 0 3 18 1 0 3 19 1 0 4 20 1 0 6 21 1 0 6 22 1 0 6 23 1 0 8 24 1 0 9 25 1 0 11 26 1 0 12 27 1 0 13 28 1 0 M END