HMDB0038295 RDKit 3D Apigenin 4'-[feruloyl-(->2)-glucuronyl-(1->2)-glucuronide] 91 96 0 0 0 0 0 0 0 0999 V2000 6.0208 4.7003 -0.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4328 4.8902 -1.7865 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6196 3.9569 -2.4144 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3419 2.7478 -1.8052 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5370 1.7930 -2.3945 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2925 0.5267 -1.7245 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5221 -0.4409 -2.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3806 -1.6841 -1.3158 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6284 -2.5898 -1.7095 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0535 -1.8647 -0.1503 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0086 -2.9934 0.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6157 -2.7010 2.0823 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8943 -1.4931 2.2179 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6760 -1.6495 2.8345 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5270 -1.2450 2.0888 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6012 0.0657 1.6286 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6046 0.4054 0.7385 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6217 1.6859 0.2304 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6075 2.1264 -0.6734 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5819 1.2798 -1.0701 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6452 1.7123 -2.0143 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6717 2.9198 -2.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6957 3.2554 -3.4731 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6950 4.3959 -4.0125 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6912 2.3520 -3.7358 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7473 2.6459 -4.6039 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8506 3.8323 -5.2390 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6974 1.6372 -4.7812 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6303 0.4163 -4.1566 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6116 -0.5407 -4.3803 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5790 0.1659 -3.3133 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5893 1.1256 -3.0844 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6026 0.8619 -2.2762 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5863 -0.0086 -0.5772 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6082 -0.4292 0.3122 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6204 -1.4933 2.9835 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7162 -0.4522 3.8929 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7222 -0.7623 4.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9743 0.0440 5.8351 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4002 -1.9655 4.8655 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4110 -0.0286 4.4569 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1184 1.3258 4.1690 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7562 -0.8983 4.1517 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9891 -1.7825 5.2114 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6844 -2.7134 2.9808 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2350 -3.9682 3.1484 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5164 -4.8221 4.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4780 -4.4215 4.6871 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0502 -6.0906 4.3950 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3407 -4.7129 1.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4710 -5.5235 1.8211 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2936 -3.7800 0.6614 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3247 -4.4900 -0.5569 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0211 2.1042 -3.6237 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2914 3.3209 -4.2553 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0972 4.2672 -3.6563 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3736 5.4886 -4.2799 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4115 3.6773 -0.4679 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3078 4.9277 0.3114 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8547 5.4361 -0.4348 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7628 2.5114 -0.8149 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8107 0.3498 -0.7683 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9903 -0.3278 -3.0518 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2533 -3.6799 0.2348 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9306 -3.4920 2.4658 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5021 -2.7361 3.1293 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7580 -1.9429 1.2636 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8634 2.4372 0.5036 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5670 3.1355 -1.0325 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8878 3.6665 -2.4149 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3935 4.6648 -5.3199 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5282 1.8404 -5.4511 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5706 -1.2331 -5.1097 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4681 -0.7771 -2.7902 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3776 -0.6637 -0.9148 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6183 -1.4524 0.7015 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1205 0.4238 3.3085 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3236 -2.6370 4.1134 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5319 -0.0231 5.5826 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8221 1.3797 3.9123 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6666 -0.2243 4.1522 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3071 -1.6610 5.9315 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2598 -3.8380 3.5232 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4735 -6.5996 3.6379 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4568 -5.3778 1.7774 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0948 -5.2115 2.5512 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1966 -3.1539 0.6889 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1639 -5.0003 -0.6725 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3842 1.3609 -4.0989 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8711 3.5369 -5.2245 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9495 6.1902 -3.8792 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 29 31 1 0 31 32 2 0 32 33 1 0 20 34 1 0 34 35 2 0 15 36 1 0 36 37 1 0 37 38 1 0 38 39 2 0 38 40 1 0 37 41 1 0 41 42 1 0 41 43 1 0 43 44 1 0 12 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 46 50 1 0 50 51 1 0 50 52 1 0 52 53 1 0 5 54 2 0 54 55 1 0 55 56 2 0 56 57 1 0 56 3 1 0 52 11 1 0 43 14 1 0 35 17 1 0 33 21 1 0 32 25 1 0 1 58 1 0 1 59 1 0 1 60 1 0 4 61 1 0 6 62 1 0 7 63 1 0 11 64 1 0 12 65 1 0 14 66 1 0 15 67 1 0 18 68 1 0 19 69 1 0 22 70 1 0 27 71 1 0 28 72 1 0 30 73 1 0 31 74 1 0 34 75 1 0 35 76 1 0 37 77 1 0 40 78 1 0 41 79 1 0 42 80 1 0 43 81 1 0 44 82 1 0 46 83 1 0 49 84 1 0 50 85 1 0 51 86 1 0 52 87 1 0 53 88 1 0 54 89 1 0 55 90 1 0 57 91 1 0 M END