HMDB0301694 RDKit 3D Kaempferol 3-O-acetyl-glucoside 57 60 0 0 0 0 0 0 0 0999 V2000 6.0605 -2.0795 -2.1496 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8480 -1.8144 -1.3149 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7412 -2.2874 -1.6590 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9175 -1.0532 -0.1625 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8359 -0.7608 0.6666 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7391 -0.0036 -0.0273 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7215 0.2347 0.8907 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7366 1.0526 0.4372 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3759 0.9852 1.3230 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6681 0.7817 0.8589 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2222 -0.4602 0.7824 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5784 -1.7108 1.1774 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1575 -2.8999 0.7339 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6535 -4.1273 1.0991 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5525 -4.2244 1.9204 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0420 -5.4898 2.2890 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0290 -3.0705 2.3664 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4991 -1.8349 1.9844 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4701 -0.5276 0.2995 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1497 0.5074 -0.0813 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4566 0.3553 -0.5783 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2037 1.4282 -0.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5021 1.2227 -1.4781 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6597 2.7064 -0.9169 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3827 2.8907 -0.4354 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8101 4.1399 -0.3480 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6429 1.7869 -0.0231 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3670 1.9101 0.4623 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8839 3.0689 0.5258 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2799 2.4599 0.3422 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8504 3.0304 -0.8582 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7840 2.4108 0.3005 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2944 2.1374 1.5810 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2894 1.2889 -0.5890 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9943 1.4804 -1.9188 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8160 -1.3049 -1.9795 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4323 -3.1133 -1.9718 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7421 -2.0298 -3.2066 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2307 -0.2226 1.5534 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4079 -1.7198 1.0769 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3487 -0.6145 -0.8514 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3522 0.7909 -0.5656 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0216 -2.8721 0.0887 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0995 -5.0506 0.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3972 -5.9205 3.1163 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8898 -3.0585 3.0092 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0343 -0.9503 2.3866 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8267 -0.6719 -0.6109 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6764 1.0561 -2.4641 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2722 3.5327 -1.2485 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2873 4.9861 -0.6287 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9486 3.1043 1.1636 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6179 2.3600 -1.5393 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2473 3.3520 -0.0528 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0116 2.7594 1.8403 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3891 1.2559 -0.4823 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3371 0.7970 -2.2476 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 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 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 15 17 1 0 17 18 2 0 11 19 1 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 1 0 22 24 2 0 24 25 1 0 25 26 1 0 25 27 2 0 27 28 1 0 28 29 2 0 8 30 1 0 30 31 1 0 30 32 1 0 32 33 1 0 32 34 1 0 34 35 1 0 34 6 1 0 28 10 1 0 18 12 1 0 27 20 1 0 1 36 1 0 1 37 1 0 1 38 1 0 5 39 1 0 5 40 1 0 6 41 1 6 8 42 1 6 13 43 1 0 14 44 1 0 16 45 1 0 17 46 1 0 18 47 1 0 21 48 1 0 23 49 1 0 24 50 1 0 26 51 1 0 30 52 1 1 31 53 1 0 32 54 1 6 33 55 1 0 34 56 1 6 35 57 1 0 M END