HMDB0040869 RDKit 3D 2-O-Caffeoyltartronic acid 30 30 0 0 0 0 0 0 0 0999 V2000 -2.1067 -0.8770 1.5373 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7798 -0.2857 0.4834 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3847 -0.0779 0.0757 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6138 -0.5125 0.8144 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0166 -0.3376 0.4647 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9572 -0.8633 1.3659 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2807 -0.7400 1.1097 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6976 -0.0848 -0.0597 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0465 0.0367 -0.3135 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7865 0.4287 -0.9402 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1067 1.0893 -2.1165 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4287 0.2962 -0.6669 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7892 0.1837 -0.3162 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1681 0.0501 -0.0403 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8397 -0.7755 -1.0907 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0689 -1.0073 -1.0201 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0647 -1.2636 -2.1229 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7527 1.3996 -0.0115 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9702 1.5454 0.2156 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9816 2.5149 -0.2311 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1669 0.4315 -0.8303 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3188 -1.0280 1.7335 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6407 -1.3699 2.2699 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0570 -1.1267 1.7702 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3894 0.4886 -1.1217 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0515 1.2200 -2.3748 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7215 0.7103 -1.3777 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2882 -0.4933 0.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6728 -2.1917 -2.1535 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0790 2.6397 0.2301 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 2 0 15 17 1 0 14 18 1 0 18 19 2 0 18 20 1 0 12 5 1 0 3 21 1 0 4 22 1 0 6 23 1 0 7 24 1 0 9 25 1 0 11 26 1 0 12 27 1 0 14 28 1 0 17 29 1 0 20 30 1 0 M END