HMDB0030851 RDKit 3D Aspalathin 56 58 0 0 0 0 0 0 0 0999 V2000 1.1982 2.5323 -1.2685 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6097 1.3714 -1.0066 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0600 1.1225 -1.1163 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7265 1.2948 0.2283 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1801 1.0431 0.1788 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1133 2.0318 -0.0455 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4501 1.7256 -0.0841 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8764 0.4226 0.1002 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2389 0.1093 0.0604 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9794 -0.5685 0.3222 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3965 -1.8950 0.5118 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6177 -0.2604 0.3625 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6203 0.3695 -0.6144 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0763 -0.8933 -0.3349 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4186 -1.2907 -0.4328 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1586 -1.8529 0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1468 -1.5367 0.1847 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0383 -2.5205 0.5947 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6768 -0.2699 -0.0855 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0898 -0.0696 0.1132 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8476 -1.2204 -0.2106 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9208 -1.2429 0.6284 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8131 -2.4427 0.4122 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8781 -2.3279 1.3442 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7703 -0.0149 0.6043 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7819 -0.1637 -0.3754 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0648 1.2755 0.4488 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7523 1.9468 1.6052 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8172 1.0769 -0.4583 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4394 0.7030 -1.6961 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7467 0.6867 -0.4931 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2117 1.9286 -0.7633 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4819 1.9919 -1.7373 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3305 0.2412 -1.6781 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6169 2.3842 0.5102 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2942 0.7331 1.0502 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8159 3.0559 -0.1942 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2125 2.4785 -0.2575 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9507 0.7966 -0.0951 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7746 -2.6504 0.6751 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9549 -1.0892 0.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7051 -2.2295 -0.2149 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5440 -2.8561 0.2951 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7324 -3.4452 0.8072 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2198 -0.0384 1.2619 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5180 -1.3766 1.6776 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3175 -2.4603 -0.5703 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3256 -3.4096 0.6502 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5753 -1.9061 2.1934 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3410 0.0145 1.5716 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9273 0.7217 -0.7796 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7210 1.9531 -0.1801 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8582 1.4612 2.4406 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3078 2.0295 -0.5697 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6891 -0.2518 -1.6148 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8734 2.7815 -1.0256 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 2 0 6 7 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 1 0 10 12 2 0 2 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 2 0 17 18 1 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 22 25 1 0 25 26 1 0 25 27 1 0 27 28 1 0 27 29 1 0 29 30 1 0 19 31 2 0 31 32 1 0 12 5 1 0 31 13 1 0 29 20 1 0 3 33 1 0 3 34 1 0 4 35 1 0 4 36 1 0 6 37 1 0 7 38 1 0 9 39 1 0 11 40 1 0 12 41 1 0 15 42 1 0 16 43 1 0 18 44 1 0 20 45 1 0 22 46 1 0 23 47 1 0 23 48 1 0 24 49 1 0 25 50 1 0 26 51 1 0 27 52 1 0 28 53 1 0 29 54 1 0 30 55 1 0 32 56 1 0 M END