HMDB0242519 RDKit 3D (2R,3R)-2,3-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]butanedioic acid 52 53 0 0 0 0 0 0 0 0999 V2000 -3.7520 2.8954 -2.5446 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3720 1.7504 -1.9906 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1326 0.5944 -2.2818 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0988 -0.6230 -1.9485 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3100 -1.4984 -1.1196 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6335 -2.8786 -1.1175 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9485 -3.7707 -0.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9258 -3.3799 0.4513 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2562 -4.3293 1.2187 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5881 -2.0678 0.4754 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5326 -1.6860 1.3052 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2791 -1.1519 -0.3038 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2761 1.9199 -1.2188 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5979 3.1128 -0.9914 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5362 3.5109 0.4155 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0927 2.7766 1.2682 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8971 4.6543 0.8611 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2198 3.1126 -1.6447 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5852 2.0885 -1.1489 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2028 1.1203 -1.9038 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0330 1.1463 -3.1504 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0171 0.1189 -1.2405 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1687 0.1299 0.0639 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9617 -0.8287 0.8159 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6476 -1.8690 0.2222 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3820 -2.7472 0.9879 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4749 -2.6441 2.3544 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2188 -3.5353 3.1122 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7726 -1.5829 2.9353 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8341 -1.4348 4.3150 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0373 -0.7000 2.1936 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3873 4.4161 -1.3138 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1759 5.4684 -1.6664 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5706 4.4667 -0.6186 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0265 0.8126 -3.0244 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9869 -1.1955 -2.4806 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4455 -3.2278 -1.7469 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2461 -4.8127 -0.3911 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4970 -4.0110 1.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2974 -0.7081 1.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9642 -0.1362 -0.2276 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1547 3.9217 -1.5541 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2230 5.2045 1.6492 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3244 3.0718 -2.7585 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4968 -0.6339 -1.8338 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6618 0.9205 0.6441 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5934 -1.9735 -0.8478 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9211 -3.5676 0.5152 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2808 -3.4491 4.1106 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3503 -0.6923 4.7746 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5066 0.1103 2.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6863 3.8118 0.1687 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 3 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 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 2 3 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 27 29 1 0 29 30 1 0 29 31 2 0 18 32 1 0 32 33 2 0 32 34 1 0 12 5 1 0 31 24 1 0 3 35 1 0 4 36 1 0 6 37 1 0 7 38 1 0 9 39 1 0 11 40 1 0 12 41 1 0 14 42 1 0 17 43 1 0 18 44 1 0 22 45 1 0 23 46 1 0 25 47 1 0 26 48 1 0 28 49 1 0 30 50 1 0 31 51 1 0 34 52 1 0 M END