HMDB0301710 RDKit 3D 4-p-Coumaroylquinic acid 42 43 0 0 0 0 0 0 0 0999 V2000 0.1673 2.3114 1.6176 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6858 1.3520 1.0052 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1459 1.1938 0.8958 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6800 0.1750 0.2458 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1058 -0.0567 0.0898 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0562 0.7769 0.6131 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3973 0.4913 0.4235 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7896 -0.6205 -0.2847 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1150 -0.9628 -0.5102 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8293 -1.4658 -0.8153 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5009 -1.1684 -0.6183 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1879 0.4428 0.4334 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5752 0.5340 0.4998 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2439 0.6975 -0.8432 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8289 1.9542 -0.9993 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2868 -0.3374 -1.1144 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2704 -0.5340 -0.0076 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7720 -1.8430 -0.1279 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4406 0.3757 -0.1169 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2616 1.6342 -0.0399 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7363 -0.0841 -0.3012 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6767 -0.3177 1.3691 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2074 -0.6075 1.2937 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9114 -1.8385 0.7669 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8237 1.9024 1.3415 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9654 -0.5354 -0.2008 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7993 1.6636 1.1775 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1833 1.1269 0.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5424 -0.5898 -1.3471 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1173 -2.3504 -1.3787 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7540 -1.8577 -1.0512 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8150 1.4531 1.0849 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4847 0.6170 -1.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3697 2.5197 -1.6599 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8701 0.0165 -2.0099 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8362 -1.3130 -1.4593 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6222 -1.8865 0.3668 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4549 0.3717 0.2577 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7871 0.7807 1.5866 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1974 -0.9356 2.1218 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7891 -0.5517 2.3264 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0331 -2.5338 1.4440 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 1 0 17 18 1 0 17 19 1 0 19 20 2 0 19 21 1 0 17 22 1 0 22 23 1 0 23 24 1 0 11 5 1 0 23 13 1 0 3 25 1 0 4 26 1 0 6 27 1 0 7 28 1 0 9 29 1 0 10 30 1 0 11 31 1 0 13 32 1 0 14 33 1 6 15 34 1 0 16 35 1 0 16 36 1 0 18 37 1 0 21 38 1 0 22 39 1 0 22 40 1 0 23 41 1 1 24 42 1 0 M END