HMDB0304398 RDKit 3D kaempferol 3-O-beta-D-glucosyl-(1->2)-glucoside 72 76 0 0 0 0 0 0 0 0999 V2000 -0.1409 1.6325 -1.0451 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3721 1.4775 -0.8919 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9377 0.2024 -0.9851 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0464 -0.8413 -1.2420 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3158 -1.4497 -0.1697 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6663 -2.7574 -0.0661 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1472 -3.5407 0.7302 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3350 -4.9820 0.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4015 -5.8688 1.3089 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5906 -3.5267 0.2408 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3580 -3.0160 1.2718 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7368 -2.6047 -0.9523 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9758 -3.0111 -2.0294 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1552 -1.2576 -0.4916 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8699 -0.7935 0.5893 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5937 0.3688 0.3558 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1289 1.3127 1.2696 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7311 2.5258 1.2346 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0142 2.9556 2.6828 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6418 4.2203 2.6731 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9351 2.6882 0.4000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6254 3.2654 -0.8341 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7547 1.4527 0.1828 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9971 1.5076 0.8141 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0665 0.1980 0.6665 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6317 -0.9289 0.1325 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2637 -0.0349 -0.8348 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9452 -1.3187 -0.9227 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4701 -2.4785 -1.4453 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1844 -3.6670 -1.4384 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4247 -3.7129 -0.8922 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1126 -4.9210 -0.9023 O 0 0 0 0 0 1 0 0 0 0 0 0 -5.9550 -2.5654 -0.3496 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2292 -1.3971 -0.3663 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0045 1.0506 -0.5801 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5359 2.2519 -0.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3929 3.3280 -0.2115 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9171 4.6102 -0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7871 5.6846 0.1683 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5904 4.9114 -0.2502 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7096 3.8427 -0.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3995 4.1735 -0.6639 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1903 2.5513 -0.6307 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5349 -0.8522 0.7447 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0708 -3.3163 1.8119 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4235 -5.0492 0.7836 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2371 -5.1811 -0.5458 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0039 -5.8982 2.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9642 -4.5166 -0.0229 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3076 -3.2640 1.1614 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7914 -2.4665 -1.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8589 -2.2300 -2.6296 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3218 -0.5846 -1.3474 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4839 0.7419 -0.6839 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9650 3.2813 0.8863 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0342 3.0377 3.2137 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7121 2.2567 3.1543 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3600 4.7273 1.8746 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6151 3.4346 0.9084 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1599 2.8386 -1.5592 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9575 1.3084 -0.8991 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2583 2.4029 1.0809 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1532 0.1989 1.7753 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7911 -0.8363 -0.8348 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4955 -2.4556 -1.9145 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6884 -4.5272 -1.8894 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9429 -2.6238 0.0793 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6729 -0.5140 0.0679 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4544 3.0958 -0.0927 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9405 5.9081 1.1365 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2050 5.9167 -0.1669 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3652 3.6290 -0.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 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 7 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 18 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 3 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 2 0 31 32 1 0 31 33 1 0 33 34 2 0 27 35 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 1 0 38 40 2 0 40 41 1 0 41 42 1 0 41 43 2 0 43 2 1 0 14 5 1 0 25 16 1 0 34 28 1 0 43 36 1 0 5 44 1 1 7 45 1 1 8 46 1 0 8 47 1 0 9 48 1 0 10 49 1 6 11 50 1 0 12 51 1 6 13 52 1 0 14 53 1 6 16 54 1 6 18 55 1 6 19 56 1 0 19 57 1 0 20 58 1 0 21 59 1 1 22 60 1 0 23 61 1 6 24 62 1 0 25 63 1 1 26 64 1 0 29 65 1 0 30 66 1 0 33 67 1 0 34 68 1 0 37 69 1 0 39 70 1 0 40 71 1 0 42 72 1 0 M CHG 1 32 -1 M END