HMDB0240550 RDKit 3D p-Coumaric acid glucuronide 40 41 0 0 0 0 0 0 0 0999 V2000 7.6377 0.9140 -1.5821 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9909 0.8152 -0.5148 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6708 0.8983 0.7010 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5272 0.6134 -0.5591 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8905 0.5155 0.5854 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4588 0.3175 0.6018 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8452 0.2223 1.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4776 0.0325 1.9494 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6783 -0.0685 0.8297 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6556 -0.2539 0.9592 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6460 -0.3831 -0.0040 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5260 0.7112 0.1682 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4328 0.8132 -0.8513 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.5126 1.7415 -0.4606 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4857 2.0186 -1.2214 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4795 2.3429 0.7805 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1057 -0.5345 -1.1378 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4342 -1.0980 -2.2164 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9011 -1.3581 0.1396 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.2183 -0.5539 1.2368 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4243 -1.6951 0.1744 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1989 -2.5271 -0.9472 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2832 0.0253 -0.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6683 0.2176 -0.5124 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4886 0.2944 0.7793 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0665 0.5583 -1.5308 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4692 0.5875 1.4921 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4343 0.2961 2.7583 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0297 -0.0377 2.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3061 -0.3281 -1.0549 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9159 1.1750 -1.7616 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7057 3.3392 0.8713 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1705 -0.4152 -1.3804 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9807 -1.7588 -2.7102 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4952 -2.2899 0.1159 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4827 -0.6324 1.9219 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1203 -2.1755 1.1132 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1987 -2.5743 -1.0657 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6794 -0.0508 -1.2757 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1000 0.2855 -1.4976 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 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 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 2 0 14 16 1 0 13 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 9 23 1 0 23 24 2 0 24 6 1 0 21 11 1 0 3 25 1 0 4 26 1 0 5 27 1 0 7 28 1 0 8 29 1 0 11 30 1 6 13 31 1 6 16 32 1 0 17 33 1 6 18 34 1 0 19 35 1 6 20 36 1 0 21 37 1 1 22 38 1 0 23 39 1 0 24 40 1 0 M END