HMDB0304448 RDKit 3D p-coumaroyltyramine 38 39 0 0 0 0 0 0 0 0999 V2000 1.1623 -1.4019 0.1125 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6191 -0.4700 0.6708 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1877 0.7879 1.0076 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3265 1.3100 0.8314 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5686 0.9487 0.2331 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7329 1.7048 0.5436 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9434 1.4563 -0.0371 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1196 0.4589 -0.9609 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3692 0.2462 -1.5207 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0264 -0.2906 -1.2884 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7816 -0.0362 -0.6935 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7753 -0.6895 1.0263 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3707 -1.9485 0.6974 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7991 -2.0617 1.1051 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6588 -1.0407 0.4597 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9683 0.1807 1.0113 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7802 1.1037 0.3417 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3051 0.8278 -0.9004 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1158 1.7483 -1.5703 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0036 -0.3928 -1.4655 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2041 -1.2990 -0.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4325 1.5061 1.5785 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3563 2.3916 1.2671 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5965 2.4927 1.2803 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8160 2.0510 0.2201 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6774 0.7168 -2.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1550 -1.0782 -2.0148 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9757 -0.6418 -1.0412 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2976 0.0589 1.5033 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3402 -2.1013 -0.4229 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7315 -2.7363 1.1748 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2259 -3.0520 0.8837 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8259 -1.9310 2.2278 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5732 0.4198 1.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9815 2.0495 0.8402 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5098 1.5770 -2.4693 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4187 -0.6018 -2.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9610 -2.2636 -1.2413 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 2 0 2 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 20 1 0 20 21 2 0 11 5 1 0 21 15 1 0 3 22 1 0 4 23 1 0 6 24 1 0 7 25 1 0 9 26 1 0 10 27 1 0 11 28 1 0 12 29 1 0 13 30 1 0 13 31 1 0 14 32 1 0 14 33 1 0 16 34 1 0 17 35 1 0 19 36 1 0 20 37 1 0 21 38 1 0 M END