HMDB0041806 RDKit 3D 3,4-Dimethoxyphenylethylamine 28 28 0 0 0 0 0 0 0 0999 V2000 -3.9190 -1.7061 0.5641 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3190 -0.4562 0.2384 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9334 -0.4339 0.0379 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1610 -1.5850 0.1501 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2010 -1.6129 -0.0373 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8399 -0.4329 -0.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3106 -0.4089 -0.5679 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9564 -0.1287 0.7861 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4003 -0.1028 0.5891 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0852 0.7396 -0.4739 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2764 0.7306 -0.2794 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9571 1.9264 -0.4133 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3636 3.1449 -0.7321 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9531 -1.6051 0.8892 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7499 -2.3897 -0.2697 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3537 -2.1265 1.4463 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6475 -2.5165 0.3984 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7767 -2.5317 0.0581 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6629 -1.4138 -0.8742 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6361 0.2996 -1.3269 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5960 0.8245 1.1934 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6994 -0.9483 1.4855 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6750 -0.2299 -0.3932 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7970 0.7490 1.0444 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5889 1.6588 -0.7222 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6107 3.0852 -1.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1132 3.8847 -1.0621 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8679 3.5852 0.1754 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 6 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 11 3 1 0 1 14 1 0 1 15 1 0 1 16 1 0 4 17 1 0 5 18 1 0 7 19 1 0 7 20 1 0 8 21 1 0 8 22 1 0 9 23 1 0 9 24 1 0 10 25 1 0 13 26 1 0 13 27 1 0 13 28 1 0 M END