HMDB0302596 RDKit 3D Apigenin 7-glucuronosyl-glucoside 71 75 0 0 0 0 0 0 0 0999 V2000 -1.9526 -1.8835 -0.3785 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8446 -2.4332 0.2888 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9801 -3.8128 0.2185 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7962 -1.6758 1.1784 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5585 -0.3313 1.1584 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9173 0.3161 -0.0067 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8432 0.6287 -0.8159 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6961 2.0020 -0.9389 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3948 2.7121 0.3513 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2632 2.2480 0.9240 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0906 2.3477 0.2075 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0587 1.4772 -0.8693 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8433 0.4965 -1.1777 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6215 -0.2222 -2.3301 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5287 -1.2265 -2.6631 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2769 -1.9127 -3.8053 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6319 -1.4956 -1.8499 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5562 -2.4744 -2.1322 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4350 -3.1685 -3.1476 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6202 -2.6545 -1.2462 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7864 -1.9050 -0.1131 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9078 -2.0909 0.8257 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8697 -3.0438 0.6173 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9237 -3.1927 1.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0268 -2.4014 2.6507 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0668 -2.5332 3.5727 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0595 -1.4438 2.8594 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0183 -1.2977 1.9544 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8786 -0.9856 0.1106 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8480 -0.7716 -0.6969 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9286 0.2252 -0.3861 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0662 3.7717 -0.2817 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3919 4.2020 -0.1770 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8720 4.6381 0.4912 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7181 5.9917 0.2516 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2900 4.2213 0.0715 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.1529 4.9390 0.8936 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9777 -0.4390 -0.7864 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.6526 0.3723 -1.6708 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9384 -0.9916 0.2426 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.1319 -1.4300 -0.3202 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2057 -2.1083 0.9521 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.8817 -2.4026 2.1340 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1167 -4.2954 1.1136 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5213 -2.0249 2.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3975 1.2617 0.3036 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6847 2.4559 -1.3119 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0030 2.2701 -1.7625 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2212 2.6160 1.0917 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7918 2.1839 0.9087 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2275 -0.0125 -2.9528 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7511 -2.6271 -4.2215 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3275 -3.4340 -1.5011 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8436 -3.6893 -0.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6767 -3.9475 1.3578 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9087 -1.9897 3.4297 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1489 -0.8279 3.7393 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2568 -0.5507 2.1095 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1385 0.7721 0.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2111 3.7818 -1.3613 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5537 4.6745 0.6744 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7898 4.3740 1.5719 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0662 6.3194 0.7352 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4513 4.4363 -0.9987 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4432 4.3209 1.6313 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5361 -1.2832 -1.3378 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9431 1.2181 -1.2844 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1031 -0.1896 0.9971 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7722 -0.7187 -0.4766 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2586 -2.9964 0.2715 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8522 -2.3594 2.0395 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 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 15 17 2 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 25 27 1 0 27 28 2 0 21 29 1 0 29 30 1 0 30 31 2 0 11 32 1 0 32 33 1 0 32 34 1 0 34 35 1 0 34 36 1 0 36 37 1 0 6 38 1 0 38 39 1 0 38 40 1 0 40 41 1 0 40 42 1 0 42 43 1 0 42 4 1 0 36 9 1 0 31 13 1 0 30 17 1 0 28 22 1 0 3 44 1 0 4 45 1 1 6 46 1 1 8 47 1 0 8 48 1 0 9 49 1 1 11 50 1 1 14 51 1 0 16 52 1 0 20 53 1 0 23 54 1 0 24 55 1 0 26 56 1 0 27 57 1 0 28 58 1 0 31 59 1 0 32 60 1 6 33 61 1 0 34 62 1 1 35 63 1 0 36 64 1 6 37 65 1 0 38 66 1 6 39 67 1 0 40 68 1 1 41 69 1 0 42 70 1 6 43 71 1 0 M END