HMDB0033026 RDKit 3D N-cis-Caffeoyltyramine 39 40 0 0 0 0 0 0 0 0999 V2000 -0.3188 0.7340 1.6173 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2267 0.0224 0.7387 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6932 0.1538 0.6502 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4403 -0.5117 -0.2094 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9013 -0.3836 -0.3007 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5565 -1.1503 -1.2583 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9224 -1.0923 -1.4122 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6683 -0.2601 -0.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0399 -0.2514 -0.8158 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0190 0.4925 0.3349 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7536 1.3313 1.1503 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6317 0.4358 0.4938 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5431 -0.8135 -0.0678 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9772 -0.8762 0.0807 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5630 0.4768 -0.2145 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0475 0.4241 -0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8258 0.1042 -1.1657 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2127 0.0539 -1.0377 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8501 0.3155 0.1575 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2364 0.2667 0.2911 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0615 0.6344 1.2438 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6842 0.6857 1.1224 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2295 0.8232 1.3089 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9316 -1.1852 -0.8772 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9648 -1.8169 -1.9049 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4270 -1.7026 -2.1718 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7228 0.2766 -0.3377 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7495 1.3802 1.0454 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2043 1.0472 1.2422 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0437 -1.4056 -0.7975 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2756 -1.1815 1.1123 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3744 -1.6623 -0.6068 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2871 0.7939 -1.2601 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1722 1.2451 0.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3404 -0.1065 -2.1219 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8447 -0.1974 -1.8911 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7862 1.1225 0.1203 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5705 0.8412 2.1901 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0674 0.9359 1.9750 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 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 19 21 1 0 21 22 2 0 12 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 11 28 1 0 12 29 1 0 13 30 1 0 14 31 1 0 14 32 1 0 15 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