HMDB0248716 RDKit 3D Atrinositol 39 39 0 0 0 0 0 0 0 0999 V2000 -3.8886 -1.8107 1.1563 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1467 -0.5246 0.8938 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.1020 0.4834 -0.0351 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8938 0.2304 2.3969 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6856 -0.9162 0.1511 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1672 0.1245 -0.5903 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9775 -0.1773 -2.0364 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1330 -0.8474 -2.4867 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2172 -0.9558 -2.3966 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1664 -2.2948 -2.6662 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3562 -0.9764 -1.4798 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4079 -0.1635 -1.9684 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1015 -0.5326 -0.0681 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6261 -1.5893 0.6955 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6732 -1.8578 1.9831 P 0 0 0 0 0 5 0 0 0 0 0 0 1.6931 -3.3314 2.3812 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2757 -1.4666 1.5706 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2578 -0.9392 3.3393 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1380 0.6333 -0.0168 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6270 1.6266 -0.8375 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8962 3.0590 0.0202 P 0 0 0 0 0 5 0 0 0 0 0 0 0.8020 4.2050 -0.9583 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4321 3.0671 0.7355 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3151 3.2676 1.1894 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9463 1.4414 0.1103 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6487 0.8078 2.6031 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8920 0.9788 -0.4895 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0036 0.8104 -2.5866 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2375 -1.7048 -1.9964 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5754 -0.5995 -3.4093 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1766 -2.7982 -1.8126 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8158 -2.0014 -1.4089 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8496 -0.6750 -2.7141 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0369 -0.1810 0.4062 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7345 -1.1695 2.3722 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0208 -1.5253 4.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0446 1.0211 0.9931 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7036 4.0370 0.8005 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0955 3.2450 2.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 2 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 1 0 9 11 1 0 11 12 1 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 15 18 1 0 13 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 21 24 1 0 19 6 1 0 3 25 1 0 4 26 1 0 6 27 1 0 7 28 1 0 8 29 1 0 9 30 1 0 10 31 1 0 11 32 1 0 12 33 1 0 13 34 1 0 17 35 1 0 18 36 1 0 19 37 1 0 23 38 1 0 24 39 1 0 M END