HMDB0030821 RDKit 3D Cichoriin 40 42 0 0 0 0 0 0 0 0999 V2000 6.4167 -1.3915 2.4634 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6952 -0.7608 1.6484 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3163 0.1304 0.7969 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4848 0.7950 -0.0749 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1132 0.5795 -0.0922 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2844 1.2478 -0.9673 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9057 1.0334 -0.9871 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1025 1.7202 -1.8777 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3782 0.1276 -0.1025 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0558 -0.1745 -0.0170 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0832 0.2203 -0.6529 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8781 0.8775 0.2838 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2179 0.6175 0.1998 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9173 1.4593 1.2465 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2944 1.2614 1.2374 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3974 -0.8340 0.6008 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6715 -1.0073 1.7780 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7515 -1.6633 -0.4606 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8043 -2.2369 -1.2150 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8009 -0.9174 -1.3324 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5160 -0.4489 -2.4361 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2414 -0.5444 0.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5738 -0.3341 0.7987 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 -0.9510 1.6183 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3902 0.2807 0.8303 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8882 1.5027 -0.7676 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6844 1.9590 -1.6645 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4459 2.3909 -2.5413 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8773 0.9727 -1.4304 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6651 0.8390 -0.7875 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6373 2.5162 1.0391 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4558 1.1907 2.2252 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5570 0.8133 2.0784 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4495 -1.0841 0.7465 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8518 -1.9337 2.0783 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2572 -2.5241 0.0335 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9283 -1.7402 -2.0645 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0230 -1.6017 -1.7319 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1331 0.4068 -2.7491 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7881 -1.2517 1.4661 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 1 0 7 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 13 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 9 22 1 0 22 23 2 0 23 24 1 0 24 2 1 0 23 5 1 0 20 11 1 0 3 25 1 0 4 26 1 0 6 27 1 0 8 28 1 0 11 29 1 0 13 30 1 0 14 31 1 0 14 32 1 0 15 33 1 0 16 34 1 0 17 35 1 0 18 36 1 0 19 37 1 0 20 38 1 0 21 39 1 0 22 40 1 0 M END