HMDB0038301 RDKit 3D Apigenin 7-[feruloyl-(->2)-glucuronyl-(1->2)-glucuronide] 4'-glucuronide 111117 0 0 0 0 0 0 0 0999 V2000 -7.7360 -4.1724 -4.2232 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9253 -5.1166 -3.1667 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7943 -4.7202 -1.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4942 -3.4342 -1.4604 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3709 -3.0940 -0.1266 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0868 -1.7265 0.2774 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8523 -1.3936 1.5135 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5754 -0.0443 1.9094 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3232 0.2943 3.1003 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5761 0.9842 0.9697 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3076 2.3075 1.3747 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2555 2.9314 0.5459 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1107 3.1623 1.2508 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9140 3.0146 0.5758 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3599 1.5937 0.9923 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0447 1.4305 0.7777 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1133 1.5097 -0.1923 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2688 2.0592 -1.4298 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7197 2.1362 -2.4324 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4114 2.7275 -3.6228 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9517 1.6062 -2.1409 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9709 1.6368 -3.0611 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8661 2.1446 -4.2087 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1880 1.0658 -2.6859 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3732 0.4952 -1.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6516 -0.1280 -1.0629 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7892 -0.0560 -1.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9499 -0.7453 -1.4816 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9992 -1.5504 -0.3375 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1895 -2.1995 -0.0895 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4712 -3.1240 0.9072 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7818 -4.3771 0.3832 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0269 -4.5036 -0.1605 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2105 -3.9454 -1.5082 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2640 -3.4206 -2.1176 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4579 -4.0082 -2.1027 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1488 -4.1234 0.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2011 -5.0562 1.7973 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9169 -2.7412 1.2939 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1821 -1.7730 0.3205 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5200 -2.6161 1.8424 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2788 -1.2612 2.0902 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8665 -1.6193 0.4195 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7139 -0.9270 0.0737 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3541 0.5150 -0.6425 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1707 1.0268 -0.8973 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1698 0.9797 0.0552 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6454 1.4522 2.3409 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4886 2.5943 3.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7617 2.1727 4.3526 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4113 3.0153 5.2212 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4665 0.8461 4.5825 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7696 3.7513 2.5439 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3818 3.7604 2.7954 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9520 4.0294 1.0545 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4585 5.3005 0.8843 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7588 4.1902 -0.0032 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7943 3.7675 -0.8664 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0670 4.8019 -1.8562 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9880 4.6867 -2.7331 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3257 5.9811 -1.8945 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9986 3.3219 -0.0743 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0375 4.2545 -0.1190 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5562 3.1857 1.3464 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0765 4.4704 1.7273 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5510 -4.0555 0.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8562 -5.3573 0.4263 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9802 -5.7038 -0.8809 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2828 -6.9963 -1.2913 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2935 -3.2584 -3.9401 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1173 -4.5638 -5.1657 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6414 -3.9529 -4.3343 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3493 -2.6823 -2.2339 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0751 -0.9571 -0.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8565 -2.1399 2.2862 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0329 2.3188 2.4815 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9604 2.4381 -0.4055 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0691 2.9351 -0.4658 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9719 0.9439 0.3516 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2218 2.4653 -1.6891 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9630 2.8757 -4.3917 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0008 1.0957 -3.4177 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7684 0.5702 -2.7173 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8284 -0.6612 -2.1117 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5660 -3.3217 1.5657 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1757 -5.6312 -0.2996 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9645 -3.1707 -2.4325 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0966 -4.1859 0.1979 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1177 -5.3913 1.9322 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6059 -2.5413 2.1612 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8506 -1.1336 0.6654 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4848 -3.1121 2.8436 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0998 -0.7466 1.9598 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8770 -2.2329 1.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8014 -0.9628 0.6653 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 0.5285 1.0176 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4833 2.9594 3.4909 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4884 0.5453 4.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1277 4.6774 3.1012 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0606 4.6701 2.5414 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9980 3.9640 0.5275 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0881 5.9400 1.5434 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3535 2.8960 -1.4288 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5329 6.1022 -2.5144 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4225 2.3540 -0.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0676 4.8197 0.6681 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3119 2.8947 2.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2749 4.6835 2.6627 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4859 -3.8982 1.9055 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9925 -6.0993 1.2245 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3677 -7.2472 -2.2604 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 1 0 19 21 2 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 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 25 45 1 0 45 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 46 21 1 0 44 26 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 20 81 1 0 24 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 44 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