HMDB0004826 RDKit 3D p-Synephrine 25 25 0 0 0 0 0 0 0 0999 V2000 -3.8800 0.9459 -0.1205 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0430 -0.2361 -0.3792 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6757 0.1963 -0.1959 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6919 -0.9278 -0.4317 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0079 -1.9369 0.5069 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6911 -0.4818 -0.1264 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0659 0.8417 -0.0761 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3825 1.1973 0.2164 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3251 0.2462 0.4584 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6320 0.5932 0.7490 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9738 -1.0796 0.4137 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6886 -1.4244 0.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9234 0.6616 0.0753 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8765 1.5110 -1.0939 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4310 1.5562 0.6907 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2233 -0.6309 -1.3116 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5186 0.6597 0.7966 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4705 0.9796 -0.9539 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7957 -1.3456 -1.4516 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6389 -1.5996 1.3738 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3398 1.6130 -0.2635 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6282 2.2432 0.2445 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3360 0.7091 0.0576 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7123 -1.8303 0.6034 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4012 -2.4608 0.0901 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 4 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 9 11 1 0 11 12 2 0 12 6 1 0 1 13 1 0 1 14 1 0 1 15 1 0 2 16 1 0 3 17 1 0 3 18 1 0 4 19 1 0 5 20 1 0 7 21 1 0 8 22 1 0 10 23 1 0 11 24 1 0 12 25 1 0 M END