HMDB0030669 RDKit 3D 3-Feruloylquinic acid 46 47 0 0 0 0 0 0 0 0999 V2000 5.4957 1.1213 -1.7019 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2290 0.0562 -1.1289 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5739 -0.9114 -0.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1941 -0.8437 -0.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5297 -1.7936 0.5589 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0843 -1.7731 0.7974 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2593 -0.8576 0.3389 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1924 -0.9234 0.6353 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6350 -1.8680 1.3341 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 0.0172 0.1697 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4525 0.0201 0.4086 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2610 -0.0861 -0.8641 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5884 0.6376 -0.7502 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.3453 0.1681 0.3118 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3222 0.3527 -2.0023 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8272 0.6898 -3.1013 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5397 -0.2768 -1.9768 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3045 2.1058 -0.6399 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2188 2.4046 0.3308 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5922 3.4437 1.2161 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7975 1.2520 1.2017 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7314 0.9975 2.2136 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3089 -2.8206 1.0988 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6662 -2.8763 0.8989 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3309 -1.9281 0.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7076 -1.9747 -0.0504 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5899 0.7977 -2.2182 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1997 1.8555 -0.9195 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1479 1.6120 -2.4802 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6280 -0.0291 -0.6193 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6542 -2.5611 1.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6604 -0.0592 -0.2564 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7704 -0.8593 1.0427 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4893 -1.1389 -1.1284 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6913 0.3624 -1.6837 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0112 0.8747 0.5577 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0841 -0.2462 -1.1134 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0472 2.4676 -1.6595 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2085 2.6913 -0.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3471 2.8167 -0.2267 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8131 3.5047 1.8549 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8787 1.5729 1.7353 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2481 0.5012 2.9477 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7896 -3.5719 1.6838 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2790 -3.6761 1.3183 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1408 -1.2480 -0.6041 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 1 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