HMDB0041720 RDKit 3D Dihydrocaffeic acid 3-O-glucuronide 43 44 0 0 0 0 0 0 0 0999 V2000 6.4531 -0.5742 0.7548 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8121 -1.3207 -0.0243 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3175 -2.5781 -0.3133 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5323 -0.9414 -0.6648 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1097 0.4675 -0.2485 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8230 0.7779 -0.9271 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7479 1.3730 -2.1663 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5536 1.6556 -2.7847 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3643 1.3518 -2.1839 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8633 1.6281 -2.7900 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3781 0.7496 -0.9316 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 0.4445 -0.3283 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0844 -0.1447 0.8908 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7283 -1.3687 0.8054 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0962 -1.2154 0.8352 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7822 -2.3446 0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1402 -3.2767 -0.4284 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1650 -2.3744 0.0290 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5743 0.1161 0.2987 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.9699 0.1413 0.1953 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1372 1.1842 1.2753 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0404 2.3735 0.5597 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8155 0.7599 1.8587 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0701 0.1112 3.0634 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5923 0.4827 -0.3453 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7175 -3.1952 0.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7767 -1.6898 -0.4263 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6906 -0.9805 -1.7705 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9102 1.1680 -0.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9115 0.4313 0.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7082 1.6153 -2.6452 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5525 2.1311 -3.7734 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7006 1.3891 -2.3146 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1047 -0.3805 1.4094 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4718 -1.3068 1.8935 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7306 -2.9220 0.6532 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0996 0.3167 -0.6901 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2766 1.0296 0.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9054 1.3529 2.0583 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5691 2.3550 -0.2748 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1506 1.6269 2.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3146 -0.4272 3.3797 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6646 0.0085 0.6425 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 15 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 11 25 2 0 25 6 1 0 23 13 1 0 3 26 1 0 4 27 1 0 4 28 1 0 5 29 1 0 5 30 1 0 7 31 1 0 8 32 1 0 10 33 1 0 13 34 1 1 15 35 1 1 18 36 1 0 19 37 1 6 20 38 1 0 21 39 1 1 22 40 1 0 23 41 1 1 24 42 1 0 25 43 1 0 M END