HMDB0038298 RDKit 3D Apigenin 4'-[feruloyl-(->2)-glucuronyl-(1->2)-glucuronide] 7-glucuronide 111117 0 0 0 0 0 0 0 0999 V2000 10.5565 5.0518 2.8552 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6864 5.4236 1.4927 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1522 4.7066 0.4568 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4260 3.5351 0.6722 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8856 2.8087 -0.3635 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1233 1.5864 -0.1672 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8760 1.0701 1.0209 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1051 -0.1542 1.0919 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8444 -0.6837 2.2144 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6203 -0.8021 -0.0299 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8694 -2.0010 0.0565 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4797 -1.8976 -0.4549 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5315 -2.3120 0.4924 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6597 -1.2996 0.8746 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2175 -1.7687 0.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8761 -1.7137 -0.6825 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3212 -1.3160 -1.1926 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5356 -1.2834 -2.5701 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7421 -0.8873 -3.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7849 -0.5074 -2.3037 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1036 -0.0856 -2.8251 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3170 -0.0455 -4.1792 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5799 0.3575 -4.6411 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7974 0.4015 -5.8811 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5556 0.6966 -3.7256 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8262 1.1006 -4.1415 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1816 1.1879 -5.4441 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7462 1.4210 -3.1562 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4480 1.3535 -1.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4446 1.6956 -0.9128 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3641 1.7233 0.4809 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7655 2.9657 0.9101 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.5124 3.0151 2.0516 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6818 2.8215 3.2886 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2107 2.8343 4.4268 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3163 2.6253 3.2042 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.7487 2.1735 2.0535 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9115 1.6369 3.3416 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.6595 1.0315 1.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2434 1.2827 -0.1400 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.2393 0.5871 0.9874 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8194 0.1060 2.2200 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1943 0.9547 -1.4246 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2500 0.6263 -2.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0708 0.2493 -2.0094 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5851 -0.5350 -0.9471 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3816 -0.9304 -0.4199 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2457 -3.1316 1.0061 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7720 -3.3886 2.2283 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8528 -4.2640 2.9845 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1147 -4.6492 4.1336 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3292 -4.6614 2.3910 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0458 -2.1790 3.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8520 -1.7461 3.6274 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8107 -1.1077 2.3703 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3023 0.1531 2.6927 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2062 -2.4711 -1.6613 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8200 -3.6423 -1.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3671 -4.8362 -1.2626 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4573 -4.7726 -0.4119 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9544 -6.0553 -1.5320 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3254 -3.4857 -1.9114 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9121 -4.7336 -2.2118 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6771 -3.1516 -0.5006 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6055 -4.2898 0.3339 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0893 3.2841 -1.6336 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8009 4.4363 -1.8778 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3379 5.1562 -0.8302 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0409 6.2993 -1.1102 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4924 4.9376 3.1347 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0183 4.0424 2.9877 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9950 5.8157 3.5189 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3009 3.2127 1.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7359 1.0696 -1.0455 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2262 1.5261 1.9205 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7880 -2.2319 1.1637 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2514 -0.7918 -0.5954 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8665 -0.3539 0.3346 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5305 -1.2929 1.3637 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 -1.5740 -3.2458 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8848 -0.8704 -4.1799 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6032 -0.2955 -4.9425 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8151 1.0496 -6.3139 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7528 1.7414 -3.4594 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3310 1.5404 0.8194 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8787 4.0867 2.1319 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8448 2.1424 3.9509 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6661 2.7490 1.8034 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8575 1.7104 3.6167 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2368 0.1627 1.5252 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6577 2.1713 -0.2163 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2016 -0.2798 0.2841 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3947 -0.6609 2.4516 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9308 0.8910 -0.3918 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3768 -0.2447 -0.2863 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2635 -0.9397 0.6788 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7604 -3.9112 2.1041 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1852 -4.8268 2.8649 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6854 -2.5284 3.9359 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6716 -2.2798 4.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8884 -1.0966 2.6216 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9997 0.7792 2.9603 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5852 -3.8336 -3.0695 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7783 -6.8953 -0.9946 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6340 -2.7003 -2.5991 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9834 -4.8334 -3.2019 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7458 -2.8428 -0.4731 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0576 -4.0692 1.1533 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6780 2.7377 -2.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9229 4.7565 -2.9178 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1990 6.6602 -2.0221 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 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 2 0 26 27 1 0 26 28 1 0 28 29 2 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 2 0 34 36 1 0 33 37 1 0 37 38 1 0 37 39 1 0 39 40 1 0 39 41 1 0 41 42 1 0 29 43 1 0 43 44 2 0 44 45 1 0 20 46 1 0 46 47 2 0 15 48 1 0 48 49 1 0 49 50 1 0 50 51 2 0 50 52 1 0 49 53 1 0 53 54 1 0 53 55 1 0 55 56 1 0 12 57 1 0 57 58 1 0 58 59 1 0 59 60 2 0 59 61 1 0 58 62 1 0 62 63 1 0 62 64 1 0 64 65 1 0 5 66 2 0 66 67 1 0 67 68 2 0 68 69 1 0 68 3 1 0 64 11 1 0 55 14 1 0 47 17 1 0 45 21 1 0 44 25 1 0 41 31 1 0 1 70 1 0 1 71 1 0 1 72 1 0 4 73 1 0 6 74 1 0 7 75 1 0 11 76 1 0 12 77 1 0 14 78 1 0 15 79 1 0 18 80 1 0 19 81 1 0 22 82 1 0 27 83 1 0 28 84 1 0 31 85 1 0 33 86 1 0 36 87 1 0 37 88 1 0 38 89 1 0 39 90 1 0 40 91 1 0 41 92 1 0 42 93 1 0 43 94 1 0 46 95 1 0 47 96 1 0 49 97 1 0 52 98 1 0 53 99 1 0 54100 1 0 55101 1 0 56102 1 0 58103 1 0 61104 1 0 62105 1 0 63106 1 0 64107 1 0 65108 1 0 66109 1 0 67110 1 0 69111 1 0 M END