HMDB0013680 RDKit 3D Caftaric acid 34 34 0 0 0 0 0 0 0 0999 V2000 -1.3374 1.4406 -0.3602 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9339 0.2861 -0.1802 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5023 -0.0413 -0.0478 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4319 0.8832 -0.1148 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8649 0.6506 0.0046 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4466 -0.5787 0.2057 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7959 -0.7880 0.3169 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6396 0.3023 0.2224 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0009 0.0844 0.3355 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1071 1.5678 0.0195 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9856 2.6156 -0.0672 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7402 1.7233 -0.0856 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8327 -0.7406 -0.0976 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2527 -0.5507 -0.2105 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7816 -1.3164 -1.3366 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0232 -2.1071 -2.0227 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0842 -1.2825 -1.7764 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9134 -0.9400 1.0972 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3164 -0.1190 2.1102 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3267 -0.5280 1.0675 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7001 0.5025 1.7302 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3387 -1.1570 0.3789 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8162 -1.0616 0.1086 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0631 1.8993 -0.2741 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7956 -1.4348 0.2806 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2343 -1.7743 0.4765 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6947 0.8106 0.2807 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7627 3.5718 -0.2095 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3126 2.7028 -0.2436 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4176 0.5224 -0.3649 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5624 -2.0455 -2.2257 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8069 -2.0068 1.3428 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6750 0.7868 1.9094 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8912 -1.8777 0.8076 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 1 0 18 20 1 0 20 21 2 0 20 22 1 0 12 5 1 0 3 23 1 0 4 24 1 0 6 25 1 0 7 26 1 0 9 27 1 0 11 28 1 0 12 29 1 0 14 30 1 6 17 31 1 0 18 32 1 1 19 33 1 0 22 34 1 0 M END