HMDB0035322 RDKit 3D Fagopyritol B2 66 68 0 0 0 0 0 0 0 0999 V2000 -6.4873 1.5798 -0.9056 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8481 0.2702 -1.1587 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7402 -0.6870 -0.7374 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.6083 -0.3874 -1.4452 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4261 -0.4193 -0.6614 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3391 -0.4947 -1.4194 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2901 0.3353 -1.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4576 0.4877 -0.1999 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6816 1.2977 -0.4544 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6640 0.9114 0.4139 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3798 -0.1986 0.0018 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6913 0.0240 -0.2775 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6130 -0.8493 0.5606 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9566 -2.0745 0.7932 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8850 -1.1751 -0.1689 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8869 -1.3455 0.7927 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3347 -0.0650 -1.0907 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8357 1.0235 -0.3652 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2936 0.3418 -2.0823 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6613 0.1736 -3.3962 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9900 -0.3437 -1.7367 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9543 0.0021 -2.5781 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1647 0.8361 1.8075 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7870 -0.4645 2.2168 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0570 1.6933 1.9485 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2648 3.0115 1.6300 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1204 1.1530 0.9820 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8535 2.2836 0.6260 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5339 -1.7196 0.1440 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.9563 -2.7504 -0.6857 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4902 -1.4847 1.2696 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.9207 -0.9207 2.3994 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6188 -0.6008 0.7490 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.5112 0.6821 1.2410 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8291 2.1353 -1.6728 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1052 0.1115 -2.2278 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7925 0.0629 -0.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1368 -1.7111 -0.9799 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5317 0.3879 0.0508 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6311 0.0064 -2.3012 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6802 1.3674 -1.6814 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0775 -0.4889 0.1166 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 1.7529 0.4026 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0370 1.0641 -0.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7893 -0.4053 1.5607 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2500 -2.7739 0.1575 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8323 -2.1221 -0.7465 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3529 -2.1942 0.7275 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2080 -0.4694 -1.6607 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0912 0.7459 0.5671 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1046 1.4438 -1.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9980 1.0272 -3.7863 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1459 -1.4379 -1.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0947 0.8955 -2.9404 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9080 1.2443 2.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9734 -0.5188 3.1945 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4327 1.5853 2.9746 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2476 3.5871 2.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6964 0.4097 1.5306 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5843 2.4757 1.2402 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5182 -1.9643 0.5029 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6687 -3.6379 -0.3349 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9242 -2.4675 1.6165 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0945 0.0358 2.5134 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5783 -1.0182 1.1638 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9623 0.7448 2.1116 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 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 13 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 10 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 25 27 1 0 27 28 1 0 5 29 1 0 29 30 1 0 29 31 1 0 31 32 1 0 31 33 1 0 33 34 1 0 33 3 1 0 27 8 1 0 21 12 1 0 1 35 1 0 2 36 1 0 2 37 1 0 3 38 1 1 5 39 1 1 7 40 1 0 7 41 1 0 8 42 1 1 10 43 1 1 12 44 1 6 13 45 1 1 14 46 1 0 15 47 1 6 16 48 1 0 17 49 1 6 18 50 1 0 19 51 1 6 20 52 1 0 21 53 1 1 22 54 1 0 23 55 1 1 24 56 1 0 25 57 1 1 26 58 1 0 27 59 1 1 28 60 1 0 29 61 1 1 30 62 1 0 31 63 1 1 32 64 1 0 33 65 1 1 34 66 1 0 M END