HMDB0240491 RDKit 3D Curcumin glucuronide 67 69 0 0 0 0 0 0 0 0999 V2000 8.0961 -2.2186 -2.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3154 -1.8039 -2.1614 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3960 -0.9529 -1.0785 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2521 -0.4290 -0.4555 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3556 0.4144 0.6186 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1801 0.9548 1.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 0.6952 0.8884 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7837 1.2659 1.5712 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9671 2.0397 2.5587 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4209 0.9290 1.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4289 1.6216 1.9382 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7954 2.3601 2.8867 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0222 1.4118 1.6229 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6072 0.6444 0.6365 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7924 0.4148 0.2961 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1011 -0.4127 -0.7623 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3978 -0.6763 -1.1422 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4741 -0.0924 -0.4415 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7035 -0.4107 -0.8884 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9851 -0.0719 -0.5060 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.6016 -1.2667 -0.0539 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9220 -0.9564 0.2661 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.4776 -1.9121 1.2558 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6515 -1.8194 1.6849 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6598 -2.9340 1.7103 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7089 -0.9858 -1.0210 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.9607 -0.3985 -0.8915 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8784 -0.4004 -2.1139 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.3398 -1.3771 -2.9466 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7938 0.5168 -1.6530 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.2750 1.7880 -1.3280 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1729 0.7277 0.6073 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1862 1.3227 1.3243 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8910 2.1750 2.4138 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8408 0.9730 0.9653 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5970 0.7606 1.1033 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7515 0.2625 0.5133 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6091 -0.5840 -0.5661 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7929 -1.0668 -1.1355 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3849 -2.5054 -1.9134 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6621 -1.3258 -3.2649 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2073 -3.0552 -3.4217 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3204 -0.7445 -0.8901 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2501 1.6291 2.1197 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7625 0.0434 0.0558 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2914 1.1479 0.0173 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2853 -0.1718 1.2865 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2891 1.9103 2.2284 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4113 0.1725 0.0673 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2654 -0.8675 -1.3082 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5957 -1.3352 -1.9833 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0796 0.6124 0.3555 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0123 0.0664 0.6931 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3939 -3.6479 1.0454 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8811 -2.0631 -1.2642 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2373 0.0305 -1.7183 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5675 0.2069 -2.7614 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5924 -1.8127 -2.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0850 0.6522 -2.4998 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8925 2.1188 -0.4716 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1873 2.9861 2.0636 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7648 2.6864 2.8132 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2969 1.6290 3.1997 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6594 1.6233 1.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6880 1.4263 1.9513 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7268 0.5327 0.8918 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7434 -1.6909 -1.9293 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 22 26 1 0 26 27 1 0 26 28 1 0 28 29 1 0 28 30 1 0 30 31 1 0 18 32 1 0 32 33 1 0 33 34 1 0 32 35 2 0 5 36 2 0 36 37 1 0 37 38 2 0 38 39 1 0 38 3 1 0 35 15 1 0 30 20 1 0 1 40 1 0 1 41 1 0 1 42 1 0 4 43 1 0 6 44 1 0 7 45 1 0 10 46 1 0 10 47 1 0 13 48 1 0 14 49 1 0 16 50 1 0 17 51 1 0 20 52 1 1 22 53 1 1 25 54 1 0 26 55 1 6 27 56 1 0 28 57 1 6 29 58 1 0 30 59 1 6 31 60 1 0 34 61 1 0 34 62 1 0 34 63 1 0 35 64 1 0 36 65 1 0 37 66 1 0 39 67 1 0 M END