HMDB0249531 RDKit 3D Caffeic Acid Phenethyl Amide 38 39 0 0 0 0 0 0 0 0999 V2000 -0.1241 -1.7958 -0.7315 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1970 -0.6780 -0.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6292 -0.3252 -0.1397 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5435 -1.1810 -0.5085 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9491 -0.8913 -0.4053 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8811 -1.8437 -0.8145 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2207 -1.5815 -0.7219 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6930 -0.3875 -0.2295 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0408 -0.1451 -0.1453 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7739 0.5553 0.1756 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2714 1.7590 0.6717 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4041 0.3086 0.0898 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7905 0.2594 0.1348 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1858 -0.0899 0.0065 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0756 1.0375 0.4883 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5067 0.6624 0.3498 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1636 0.0327 1.3721 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5071 -0.3300 1.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2067 -0.0562 0.1137 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5404 0.5780 -0.9127 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2050 0.9383 -0.8076 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8585 0.6392 0.2599 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2601 -2.1705 -0.9179 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4910 -2.7801 -1.2004 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9397 -2.3236 -1.0407 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4696 0.6823 0.1946 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5903 2.4450 0.9666 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7305 1.1096 0.4326 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4990 1.1987 0.5231 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4632 -0.2943 -1.0474 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3509 -1.0235 0.5783 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8402 1.9252 -0.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7974 1.2867 1.5281 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6169 -0.1826 2.2763 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9881 -0.8257 2.0978 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2480 -0.3191 -0.0113 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0807 0.8005 -1.8296 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7536 1.4298 -1.6497 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 3 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 1 0 10 12 2 0 2 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 12 5 1 0 21 16 1 0 3 22 1 0 4 23 1 0 6 24 1 0 7 25 1 0 9 26 1 0 11 27 1 0 12 28 1 0 13 29 1 0 14 30 1 0 14 31 1 0 15 32 1 0 15 33 1 0 17 34 1 0 18 35 1 0 19 36 1 0 20 37 1 0 21 38 1 0 M END