HMDB0032804 RDKit 3D N-trans-p-Coumaroyloctopamine 39 40 0 0 0 0 0 0 0 0999 V2000 -0.2331 -2.2610 2.7111 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4219 -1.3119 1.9159 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7023 -1.1711 1.2628 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0337 -0.2279 0.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3306 -0.1357 -0.2126 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3679 -0.9955 -0.0085 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6040 -0.8550 -0.6424 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8256 0.1770 -1.5142 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0451 0.3364 -2.1553 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7906 1.0573 -1.7347 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5730 0.9141 -1.1066 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6367 -0.4068 1.6870 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9036 -0.5770 2.3565 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9002 0.4695 1.9849 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3913 1.7207 2.3137 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4404 0.3754 0.6157 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8753 0.9744 -0.4806 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4261 0.8425 -1.7624 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5659 0.1006 -1.9747 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1310 -0.0437 -3.2433 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1418 -0.5054 -0.8783 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6001 -0.3759 0.3824 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4699 -1.9265 1.5035 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2717 0.5296 0.1663 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2603 -1.8173 0.6562 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4069 -1.5613 -0.4538 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7669 0.9006 -1.7095 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9158 1.8888 -2.4142 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7776 1.6254 -1.3022 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5036 0.3845 1.0396 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6895 -0.4139 3.4549 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2881 -1.6128 2.2132 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7858 0.3620 2.7029 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6813 1.9388 1.6577 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9761 1.5747 -0.3365 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9380 1.3370 -2.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8306 0.6268 -3.5615 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0371 -1.0854 -1.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0544 -0.8519 1.2364 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 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 14 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 21 22 2 0 11 5 1 0 22 16 1 0 3 23 1 0 4 24 1 0 6 25 1 0 7 26 1 0 9 27 1 0 10 28 1 0 11 29 1 0 12 30 1 0 13 31 1 0 13 32 1 0 14 33 1 0 15 34 1 0 17 35 1 0 18 36 1 0 20 37 1 0 21 38 1 0 22 39 1 0 M END