HMDB0061861 RDKit 3D Octyl 4-methoxycinnamic acid 47 47 0 0 0 0 0 0 0 0999 V2000 -5.1043 1.0114 -1.4869 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9560 0.7107 -0.3178 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5904 -0.4090 0.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3269 -0.3176 1.3088 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0305 -0.3002 0.5091 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8438 -1.5042 -0.3028 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6439 -1.5320 -1.2124 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9997 0.0503 1.5543 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6715 0.1037 1.2565 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1785 -0.9631 1.2054 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1997 -2.1436 1.4686 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6019 -0.8139 0.8386 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1142 0.3555 0.5446 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5071 0.5881 0.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9371 1.8846 -0.1196 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2467 2.1586 -0.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1499 1.1258 -0.5459 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4616 1.3586 -0.8978 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4461 0.3753 -0.9936 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7317 -0.1483 -0.2593 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4325 -0.4190 0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7848 1.3142 -2.3498 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5612 0.1472 -1.8753 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4554 1.9154 -1.3685 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0527 0.6592 -0.5877 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9329 1.6495 0.3363 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4226 -0.4531 1.3639 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7169 -1.3820 0.0247 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1880 -1.1252 2.0841 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2918 0.6275 1.9322 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0042 0.5850 -0.1943 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6809 -2.3753 0.4143 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7710 -1.8324 -0.8457 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0118 -1.6872 -2.2821 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9502 -2.3547 -1.0605 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1874 -0.5196 -1.2102 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3801 1.0453 1.9948 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2157 -0.6513 2.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2208 -1.6719 0.8132 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4344 1.2102 0.5852 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2485 2.7204 -0.0741 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5834 3.1610 -0.7043 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2149 -0.2258 -1.9183 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4279 0.8605 -1.0965 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4630 -0.3318 -0.1368 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4241 -1.0045 -0.3028 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1502 -1.4522 0.3136 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 5 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 17 20 1 0 20 21 2 0 21 14 1 0 1 22 1 0 1 23 1 0 1 24 1 0 2 25 1 0 2 26 1 0 3 27 1 0 3 28 1 0 4 29 1 0 4 30 1 0 5 31 1 0 6 32 1 0 6 33 1 0 7 34 1 0 7 35 1 0 7 36 1 0 8 37 1 0 8 38 1 0 12 39 1 0 13 40 1 0 15 41 1 0 16 42 1 0 19 43 1 0 19 44 1 0 19 45 1 0 20 46 1 0 21 47 1 0 M END