HMDB0301696 RDKit 3D Kaempferol 3-O-xylosyl-rutinoside 92 97 0 0 0 0 0 0 0 0999 V2000 4.2975 -3.0876 -0.1616 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3383 -1.9336 0.0723 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0217 -1.2829 -1.0978 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2162 -0.1778 -0.8620 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1427 -0.4431 -0.0117 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0113 -0.2230 -0.7572 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2568 -0.4543 0.0629 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3680 -0.2504 -0.7126 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3921 -1.2303 -0.4726 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.4536 -0.7854 -1.3145 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3256 0.2020 -0.8172 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4818 -0.0634 -0.1795 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0408 -1.3969 0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0449 -1.5215 1.0605 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6101 -2.7256 1.2922 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2571 -3.8815 0.6219 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8636 -5.1066 0.8913 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2710 -3.7518 -0.3281 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6696 -2.5141 -0.5894 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1705 1.0027 0.2388 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8039 2.2346 0.0684 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5776 3.2907 0.5331 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2237 4.6094 0.3714 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0534 5.6362 0.8670 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0634 4.9485 -0.2711 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2547 3.8967 -0.7554 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1099 4.2552 -1.3891 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6170 2.5782 -0.5887 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8742 1.5164 -1.0347 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8004 1.7156 -1.6341 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8153 -2.5112 -0.9167 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.6546 -3.5613 -1.1671 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7477 -2.9082 0.1160 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7102 -3.6166 -0.4909 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2219 -1.7208 0.8424 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8500 -1.5367 2.0881 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0289 0.9774 -0.2850 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3205 1.8424 -1.2974 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2653 0.3070 0.3072 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2864 0.1868 -0.5944 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4211 0.8843 -0.3729 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7870 1.8009 -1.3434 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6130 2.7372 -0.7643 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7925 3.5871 0.1848 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8182 2.2049 -0.0734 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9658 2.2822 -0.8962 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6652 0.8550 0.5436 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2037 0.9990 1.8604 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6456 -0.0085 -0.1661 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3621 -1.1327 0.5665 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9045 -0.9385 1.0553 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9042 -0.6215 1.9654 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8111 -3.7739 -0.8764 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2567 -2.7457 -0.5916 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3978 -3.6297 0.7946 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4113 -2.3724 0.5034 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8684 0.1483 -1.8727 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0366 0.7904 -1.1801 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0332 -0.9425 -1.6258 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2571 0.3856 0.8264 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7075 -1.1141 0.5593 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3298 -0.6062 1.5979 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3887 -2.8151 2.0457 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5808 -5.1453 1.6008 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9335 -4.6146 -0.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9305 -2.4295 -1.3639 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4970 3.0417 1.0387 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7690 6.5810 0.7336 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7584 5.9781 -0.4111 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4176 3.7474 -1.7906 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2342 -2.3213 -1.8656 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3554 -4.4317 -0.7981 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2995 -3.5478 0.8634 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9899 -4.1303 -1.2701 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1474 -1.9377 1.1021 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5646 -2.2067 2.7409 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4653 1.4239 0.5377 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7420 2.6286 -1.2388 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6176 1.0258 1.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3125 1.4607 0.5706 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9389 3.4296 -1.5902 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7159 3.5218 -0.0194 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0377 3.2681 1.2142 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0809 4.6632 0.0924 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0504 2.9199 0.7715 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1892 1.4255 -1.3088 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6636 0.3814 0.5917 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3740 0.1347 2.2986 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0624 -0.2132 -1.1743 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7067 -1.9211 0.0543 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7711 -1.4327 1.5308 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2116 0.2113 2.4346 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 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 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 16 18 1 0 18 19 2 0 12 20 1 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 1 0 23 25 2 0 25 26 1 0 26 27 1 0 26 28 2 0 28 29 1 0 29 30 2 0 9 31 1 0 31 32 1 0 31 33 1 0 33 34 1 0 33 35 1 0 35 36 1 0 4 37 1 0 37 38 1 0 37 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 43 45 1 0 45 46 1 0 45 47 1 0 47 48 1 0 47 49 1 0 49 50 1 0 39 51 1 0 51 52 1 0 51 2 1 0 35 7 1 0 49 41 1 0 29 11 1 0 19 13 1 0 28 21 1 0 1 53 1 0 1 54 1 0 1 55 1 0 2 56 1 1 4 57 1 6 6 58 1 0 6 59 1 0 7 60 1 1 9 61 1 1 14 62 1 0 15 63 1 0 17 64 1 0 18 65 1 0 19 66 1 0 22 67 1 0 24 68 1 0 25 69 1 0 27 70 1 0 31 71 1 6 32 72 1 0 33 73 1 1 34 74 1 0 35 75 1 1 36 76 1 0 37 77 1 1 38 78 1 0 39 79 1 1 41 80 1 1 43 81 1 6 44 82 1 0 44 83 1 0 44 84 1 0 45 85 1 1 46 86 1 0 47 87 1 1 48 88 1 0 49 89 1 6 50 90 1 0 51 91 1 1 52 92 1 0 M END