HMDB0033028 RDKit 3D N-Dihydroferuloyltyramine 44 45 0 0 0 0 0 0 0 0999 V2000 5.5931 2.2160 0.3901 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7074 1.0113 -0.3051 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7081 0.0595 -0.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6119 0.3000 0.6171 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5843 -0.6035 0.7817 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4766 -0.2778 1.6871 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4614 0.6429 1.0866 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2054 0.1322 -0.1068 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0328 -1.0051 -0.5770 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1811 0.9499 -0.7899 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8515 0.4777 -1.9569 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6676 -0.7636 -1.6997 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7082 -0.4880 -0.6722 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5074 -0.6802 0.6683 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5092 -0.4030 1.5755 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7141 0.0674 1.1394 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7520 0.3592 2.0281 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9479 0.2712 -0.2003 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9311 -0.0136 -1.0816 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6731 -1.7947 0.1105 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7800 -2.0621 -0.7109 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7882 -1.1499 -0.8597 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9093 -1.3493 -1.6546 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6307 2.7386 0.1744 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6052 2.0782 1.5034 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4424 2.8666 0.0954 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5802 1.2638 1.1366 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9880 -1.2054 2.0837 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9324 0.2928 2.5559 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9836 1.5992 0.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2592 1.0182 1.8584 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3810 1.8920 -0.4074 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5251 1.2853 -2.3514 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1482 0.2818 -2.8093 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2299 -1.0624 -2.6355 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0392 -1.6146 -1.3688 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5665 -1.0533 1.0469 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3456 -0.5562 2.6312 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7675 1.3152 2.3839 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9019 0.6452 -0.5634 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1385 0.1557 -2.1423 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9649 -2.5944 0.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8639 -3.0027 -1.2504 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9609 -2.2398 -2.1483 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 16 18 1 0 18 19 2 0 5 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 22 3 1 0 19 13 1 0 1 24 1 0 1 25 1 0 1 26 1 0 4 27 1 0 6 28 1 0 6 29 1 0 7 30 1 0 7 31 1 0 10 32 1 0 11 33 1 0 11 34 1 0 12 35 1 0 12 36 1 0 14 37 1 0 15 38 1 0 17 39 1 0 18 40 1 0 19 41 1 0 20 42 1 0 21 43 1 0 23 44 1 0 M END