HMDB0039876 RDKit 3D Fagopyritol A1 45 46 0 0 0 0 0 0 0 0999 V2000 -3.0317 3.3568 0.1106 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5346 2.2133 -0.5242 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9815 0.9802 0.1593 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6318 0.9952 0.0741 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9676 -0.1819 0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2678 -0.0244 0.6582 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3372 -0.1661 -0.2236 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1012 1.1625 -0.1685 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2267 2.1764 -0.5903 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2350 1.0348 -1.1393 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9409 2.2492 -1.1276 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1877 -0.0300 -0.6767 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9008 0.4277 0.4357 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5532 -1.3416 -0.3873 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5668 -2.1459 -1.5393 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2038 -1.2907 0.2271 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2800 -1.2295 1.6308 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6942 -1.3856 0.5295 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1399 -2.5608 -0.0302 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1494 -1.4172 0.2873 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5718 -2.5956 -0.3216 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4965 -0.2329 -0.6211 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8612 -0.1400 -0.8328 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5080 4.1647 -0.1977 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6449 2.2503 -0.4773 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2459 2.1656 -1.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3915 0.9205 1.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7249 -0.3861 -1.0518 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0082 -0.3780 -1.2625 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4032 1.3139 0.8688 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7504 2.4869 0.2045 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8222 0.8071 -2.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3369 3.0159 -1.1109 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9380 -0.1771 -1.4848 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6441 1.3508 0.6582 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2307 -1.8801 0.3401 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8378 -1.5904 -2.3301 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6756 -2.2430 -0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8793 -1.9979 2.0682 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5023 -1.4711 1.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4775 -3.3233 0.5397 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7015 -1.2314 1.2314 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1402 -3.1409 0.2524 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9136 -0.3742 -1.5526 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0172 -0.1363 -1.8120 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 8 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 5 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 22 3 1 0 16 7 1 0 1 24 1 0 2 25 1 0 2 26 1 0 3 27 1 0 5 28 1 0 7 29 1 0 8 30 1 0 9 31 1 0 10 32 1 0 11 33 1 0 12 34 1 0 13 35 1 0 14 36 1 0 15 37 1 0 16 38 1 0 17 39 1 0 18 40 1 0 19 41 1 0 20 42 1 0 21 43 1 0 22 44 1 0 23 45 1 0 M END