HMDB0038294 RDKit 3D Apigenin 7-[glucuronyl-(1->2)-glucuronide] 4'-glucuronide 90 95 0 0 0 0 0 0 0 0999 V2000 9.5164 2.5098 2.1575 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1129 1.7114 2.8864 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4348 1.9162 3.2192 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4233 0.5151 3.4201 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1228 0.3765 3.0307 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9058 0.1347 1.6866 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6589 -0.4611 1.5040 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5451 0.0530 0.8771 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3902 -0.7332 0.8032 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2629 -0.2527 0.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2064 1.0086 -0.3827 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0038 1.4825 -1.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9629 2.7359 -1.5877 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8218 3.2119 -2.2062 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8818 4.3567 -2.6881 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3041 2.4123 -2.2582 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4555 2.8413 -2.8616 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5726 4.0635 -3.4411 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5424 1.9571 -2.8647 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5013 0.6946 -2.2949 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6333 -0.1156 -2.3499 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7276 -1.3566 -1.7852 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6153 -2.4019 -2.7272 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8314 -2.8543 -3.1676 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6412 -3.6996 -4.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4808 -3.8986 -4.7980 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7525 -4.2630 -4.9995 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5951 -3.6284 -2.0829 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9649 -3.3826 -2.1690 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1330 -3.0413 -0.7629 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8390 -3.5502 -0.5291 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0331 -1.5450 -0.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0095 -0.9080 0.2196 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0721 0.0201 0.3496 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4792 1.2571 0.5017 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1228 2.1366 1.3303 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4740 2.2172 2.6529 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4628 1.5292 2.8879 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9863 3.0474 3.6184 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6145 1.9251 1.4178 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2457 2.2452 0.2388 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9748 0.5627 1.9067 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1616 0.4795 3.2776 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9105 -0.4218 1.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5837 -1.5859 1.1267 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3164 0.3293 -1.7074 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1944 1.1556 -1.6662 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9082 0.7402 -1.0881 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3356 1.7641 -0.3041 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4902 1.2981 0.3153 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0034 -0.6841 1.0518 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8333 0.0961 0.2517 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7703 -1.4944 2.0672 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9031 -2.0003 1.4341 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2230 -0.7333 3.2639 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5755 -0.3404 3.1247 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2259 1.8463 2.6246 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3771 0.7066 4.5412 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9179 1.1195 1.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4123 -1.7086 1.2344 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3565 -0.8461 0.1174 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8036 3.4089 -1.5824 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9449 4.7766 -3.5299 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4464 2.3184 -3.3512 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9085 -1.5441 -1.0744 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5229 -2.0369 -3.4702 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6768 -5.1732 -5.4273 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4430 -4.7060 -2.1568 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3206 -3.4557 -3.0881 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7460 -3.3360 0.0845 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9562 -4.4674 -0.1481 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8862 -1.1972 -1.6227 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6402 -0.0361 -0.5958 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9917 3.1591 0.8656 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9362 2.8528 3.9525 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9827 2.6631 2.1908 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1754 1.8747 0.2876 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9735 0.3005 1.4444 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0647 0.1909 3.5446 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2573 -0.6966 2.3678 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6146 -1.7310 0.1512 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2080 -0.6582 -1.2395 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4057 2.7674 -0.7144 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3369 1.9461 0.3381 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5088 -1.4172 0.3798 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9945 -0.3576 -0.6117 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1765 -2.3751 2.4115 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9957 -1.7406 0.4954 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2039 -1.3377 4.1966 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9197 -0.5412 2.2224 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 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 2 0 17 18 1 0 17 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 24 28 1 0 28 29 1 0 28 30 1 0 30 31 1 0 30 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 2 0 37 39 1 0 36 40 1 0 40 41 1 0 40 42 1 0 42 43 1 0 42 44 1 0 44 45 1 0 20 46 1 0 46 47 2 0 47 48 1 0 11 49 1 0 49 50 2 0 6 51 1 0 51 52 1 0 51 53 1 0 53 54 1 0 53 55 1 0 55 56 1 0 55 4 1 0 50 8 1 0 48 12 1 0 47 16 1 0 32 22 1 0 44 34 1 0 3 57 1 0 4 58 1 0 6 59 1 0 9 60 1 0 10 61 1 0 13 62 1 0 18 63 1 0 19 64 1 0 22 65 1 0 24 66 1 0 27 67 1 0 28 68 1 0 29 69 1 0 30 70 1 0 31 71 1 0 32 72 1 0 34 73 1 0 36 74 1 0 39 75 1 0 40 76 1 0 41 77 1 0 42 78 1 0 43 79 1 0 44 80 1 0 45 81 1 0 46 82 1 0 49 83 1 0 50 84 1 0 51 85 1 0 52 86 1 0 53 87 1 0 54 88 1 0 55 89 1 0 56 90 1 0 M END