HMDB0041140 RDKit 3D Prenyl cis-caffeate 34 34 0 0 0 0 0 0 0 0999 V2000 -4.9411 -0.7610 0.4652 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4779 0.6211 0.2771 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1338 1.7179 1.0171 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4869 0.8893 -0.5423 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8353 -0.2186 -1.2804 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4659 -0.3592 -1.0148 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6208 0.7018 -1.3102 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0767 1.7683 -1.8079 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8111 0.6307 -1.0614 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2827 -0.4845 -0.5417 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7020 -0.6075 -0.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1383 -1.8177 0.2783 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4538 -2.0334 0.5673 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3756 -1.0445 0.3127 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7215 -1.2658 0.6086 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9954 0.1586 -0.2282 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9421 1.1378 -0.4750 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6481 0.3510 -0.5127 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1514 -1.4655 0.8037 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8445 -0.8346 1.1086 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2874 -1.1487 -0.5327 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1849 1.4473 1.3176 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5903 2.0075 1.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2357 2.5734 0.2962 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1157 1.9059 -0.7082 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3187 -1.1692 -1.0214 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0385 -0.0419 -2.3621 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4330 1.4683 -1.3016 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5951 -1.3103 -0.3164 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 -2.6209 0.4912 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8293 -2.9574 0.9955 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4140 -0.5583 0.4316 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6760 2.0294 -0.8734 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3581 1.2905 -0.9339 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 3 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 1 0 16 18 2 0 18 11 1 0 1 19 1 0 1 20 1 0 1 21 1 0 3 22 1 0 3 23 1 0 3 24 1 0 4 25 1 0 5 26 1 0 5 27 1 0 9 28 1 0 10 29 1 0 12 30 1 0 13 31 1 0 15 32 1 0 17 33 1 0 18 34 1 0 M END