HMDB0240478 RDKit 3D 5-Feruloylquinic acid 46 47 0 0 0 0 0 0 0 0999 V2000 7.0547 -1.6366 1.2168 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1542 -0.4797 0.4410 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0423 0.2140 -0.0149 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7559 -0.1902 0.2659 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6309 0.4889 -0.1802 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2845 -0.0056 0.1617 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1817 0.5703 -0.2155 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1526 0.0488 0.1444 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2093 -0.9879 0.8395 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3102 0.6532 -0.2515 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6191 0.1880 0.0705 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2989 -0.2513 -1.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7302 -0.5605 -0.8567 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.3702 -0.9003 -2.0840 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9337 -1.6751 0.0722 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5353 -2.7014 -0.2955 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4625 -1.5979 1.3613 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3947 0.7139 -0.4072 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7627 1.3383 0.7918 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.3973 0.8231 1.9333 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2880 1.2173 0.8878 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6626 2.4620 0.6398 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8423 1.6148 -0.9361 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1341 2.0522 -1.2392 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2265 1.3495 -0.7771 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5169 1.8023 -1.0906 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2489 -1.5509 1.9763 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9377 -2.5045 0.5543 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0577 -1.7737 1.7175 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6017 -1.0853 0.8668 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1904 -0.9057 0.7655 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2047 1.4576 -0.8101 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4380 -0.7414 0.6918 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8135 -1.1872 -1.5216 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2980 0.5081 -1.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0542 -1.7839 -2.3688 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1840 -2.3818 1.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4580 0.4698 -0.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4031 1.4003 -1.2803 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0215 2.4195 0.7779 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3516 1.0763 1.8479 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0402 1.0098 1.9718 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4938 2.5241 -0.3322 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0234 2.1827 -1.3101 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2748 2.9407 -1.8356 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3199 1.3052 -0.7639 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 2 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 1 6 13 15 1 0 15 16 2 0 15 17 1 0 13 18 1 0 18 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 5 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 25 3 1 0 21 11 1 0 1 27 1 0 1 28 1 0 1 29 1 0 4 30 1 0 6 31 1 0 7 32 1 0 11 33 1 1 12 34 1 0 12 35 1 0 14 36 1 0 17 37 1 0 18 38 1 0 18 39 1 0 19 40 1 6 20 41 1 0 21 42 1 1 22 43 1 0 23 44 1 0 24 45 1 0 26 46 1 0 M END