HMDB0032849 RDKit 3D trans-Chlorogenic acid 43 44 0 0 0 0 0 0 0 0999 V2000 0.6850 0.3136 -0.1552 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8335 -0.8252 -0.5979 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9849 -1.5634 -0.9867 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1979 -1.1717 -0.8959 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6939 0.0624 -0.3762 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1992 0.8037 0.6397 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7296 2.0505 0.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7752 2.5762 0.2234 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3198 3.8160 0.5042 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2992 1.8313 -0.8185 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3629 2.3966 -1.5234 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7915 0.6066 -1.1302 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4015 -1.5114 -0.7359 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6328 -0.9189 -0.3927 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3714 -1.6591 0.6726 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3467 -0.6760 1.3281 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4724 -1.3249 1.7934 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6673 0.0389 2.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6120 0.6989 2.2197 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2185 -0.0386 3.7008 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7107 0.3771 0.2936 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8503 -0.1991 -1.0813 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8497 -1.1673 -1.0372 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5430 -0.7647 -1.5934 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8060 -1.9499 -2.2319 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7853 -2.6025 -1.4204 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9798 -1.9112 -1.2787 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4257 0.3879 1.2966 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2866 2.5853 1.7567 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0901 4.2081 -0.0204 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7438 1.8507 -2.2838 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2162 0.0408 -1.9483 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4173 0.1027 -0.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7366 -2.0981 1.4545 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0177 -2.4264 0.1679 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3782 -1.7145 2.6789 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1774 0.6998 4.3846 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0504 1.2638 0.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7330 0.7394 0.5923 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2009 0.6160 -1.7468 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7481 -0.8045 -1.0724 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0738 0.0012 -2.2478 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3843 -2.7400 -1.8159 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 1 0 10 12 2 0 2 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 2 0 18 20 1 0 16 21 1 0 21 22 1 0 22 23 1 0 22 24 1 0 24 25 1 0 12 5 1 0 24 14 1 0 3 26 1 0 4 27 1 0 6 28 1 0 7 29 1 0 9 30 1 0 11 31 1 0 12 32 1 0 14 33 1 0 15 34 1 0 15 35 1 0 17 36 1 0 20 37 1 0 21 38 1 0 21 39 1 0 22 40 1 0 23 41 1 0 24 42 1 0 25 43 1 0 M END