HMDB0301699 RDKit 3D Kaempferol 3-O-(2''-rhamnosyl-6''-acetyl-galactoside) 7-O-rhamnoside 95100 0 0 0 0 0 0 0 0999 V2000 8.9955 2.8881 -2.0481 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1390 2.3863 -0.8909 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0109 3.1818 -0.8474 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1805 2.8834 0.2289 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5316 1.6694 0.1135 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1757 1.4175 0.0745 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2032 2.3709 0.1511 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8271 2.0588 0.1057 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9231 3.0549 0.1875 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4531 0.7262 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1478 0.3388 -0.0777 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7637 1.1617 -0.0132 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2349 -1.0283 -0.2122 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4919 -1.2819 -0.2681 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7748 -1.5450 -0.2882 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9608 -2.5661 -1.3091 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0331 -3.3417 -0.9509 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0545 -4.5484 -1.8717 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1262 -5.4045 -1.5825 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3200 -6.0270 -0.3832 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5137 -5.8569 0.5566 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4354 -6.8594 -0.2205 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3098 -2.5335 -1.1581 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.4528 -2.2382 -2.4923 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1668 -1.2724 -0.3701 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.2598 -0.4941 -0.5719 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8258 -0.5324 -0.6867 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.9220 0.6209 0.0218 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0648 1.7932 -0.6863 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.1590 2.7358 -0.3080 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2670 3.1797 0.9831 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0027 4.6756 1.0962 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4964 2.8366 1.7323 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.2673 1.8001 2.6785 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7188 2.5603 0.9206 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.6840 3.5770 1.0840 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4370 2.4487 -0.5324 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.2270 3.7817 -0.9931 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7977 -1.9244 -0.2767 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6117 -3.3433 -0.4096 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4779 -4.0386 -0.0405 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6106 -5.4234 -0.2796 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3938 -6.1168 -0.9082 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2790 -7.4969 -1.1546 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5158 -5.4164 -1.2887 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6304 -4.0697 -1.0508 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0745 -1.5032 -0.2209 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4144 -0.2570 -0.1016 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7502 0.1058 -0.0518 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9314 2.9271 1.5452 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2010 4.2243 1.9287 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1575 2.0555 1.5279 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8387 2.2590 2.7157 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9857 2.4414 0.3410 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0248 1.5331 0.1918 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8587 2.2144 -2.2448 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3633 3.0013 -2.9564 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4047 3.8811 -1.7324 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9104 1.3198 -1.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4392 3.7019 0.2788 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4699 3.4071 0.2523 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0328 3.1232 0.1842 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1816 -2.0390 0.6617 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9957 -3.6320 0.0979 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0809 -4.1794 -2.9209 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0844 -5.0708 -1.7438 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3793 -7.8421 -0.4829 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1565 -3.0997 -0.7305 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1028 -1.4802 -2.6283 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0461 -1.5662 0.7088 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8858 -0.5523 0.1974 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8442 -0.4349 -1.7879 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9868 1.5896 -1.7708 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4090 2.6898 1.5436 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7436 4.9400 2.1648 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2041 5.0104 0.4014 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9051 5.2801 0.8675 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7488 3.7134 2.4051 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1548 1.4066 2.8522 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2383 1.6098 1.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4201 4.3799 0.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2110 2.0600 -1.1703 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9167 3.7206 -1.9339 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2883 -3.5819 0.5031 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4946 -5.9546 0.0236 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6126 -8.1697 -0.4555 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3002 -5.9942 -1.7864 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5141 -3.5407 -1.3561 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4752 -0.6833 -0.1168 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2450 2.5019 2.3082 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6406 4.9035 1.4234 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8633 0.9934 1.4362 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1487 2.4027 3.4233 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3465 3.4840 0.4693 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7837 1.9128 -0.3222 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 2 0 7 8 1 0 8 9 1 0 8 10 2 0 10 11 1 0 11 12 2 0 11 13 1 0 13 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 20 21 2 0 20 22 1 0 17 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 25 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 31 33 1 0 33 34 1 0 33 35 1 0 35 36 1 0 35 37 1 0 37 38 1 0 13 39 2 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 2 0 43 44 1 0 43 45 1 0 45 46 2 0 39 47 1 0 47 48 1 0 48 49 2 0 4 50 1 0 50 51 1 0 50 52 1 0 52 53 1 0 52 54 1 0 54 55 1 0 54 2 1 0 49 6 1 0 48 10 1 0 27 15 1 0 37 29 1 0 46 40 1 0 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 6 4 60 1 1 7 61 1 0 9 62 1 0 15 63 1 1 17 64 1 1 18 65 1 0 18 66 1 0 22 67 1 0 23 68 1 1 24 69 1 0 25 70 1 1 26 71 1 0 27 72 1 6 29 73 1 6 31 74 1 1 32 75 1 0 32 76 1 0 32 77 1 0 33 78 1 1 34 79 1 0 35 80 1 1 36 81 1 0 37 82 1 6 38 83 1 0 41 84 1 0 42 85 1 0 44 86 1 0 45 87 1 0 46 88 1 0 49 89 1 0 50 90 1 1 51 91 1 0 52 92 1 6 53 93 1 0 54 94 1 1 55 95 1 0 M END