HMDB0304555 RDKit 3D DIBOA tetrahexose 29 28 0 0 0 0 0 0 0 0999 V2000 -1.4552 -1.5495 0.8224 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5042 -0.2835 0.1048 N 0 0 0 0 0 4 0 0 0 0 0 0 -1.8394 -0.5326 -1.2459 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6002 0.4747 0.6877 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2936 0.4458 0.3388 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9499 -0.2054 -0.0997 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1951 0.6128 0.1729 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4047 -0.1202 -0.2866 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1889 0.3655 -1.1783 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7399 -1.3696 0.2325 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3580 1.8347 -0.1639 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1769 2.0843 -1.0815 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4188 2.8760 0.3063 O 0 0 0 0 0 1 0 0 0 0 0 0 -0.6414 -2.1954 0.4386 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2762 -1.3504 1.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4415 -2.0353 0.6709 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4949 -1.4535 -1.2576 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9985 -0.7680 -1.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4990 0.2607 -1.7047 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2049 1.0638 1.5119 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0700 1.1457 -0.0839 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4158 -0.2274 1.0267 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2563 0.5432 1.4673 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8916 -0.4202 -1.2098 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1511 -1.2019 0.3479 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2582 0.9284 1.2308 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1612 1.5661 -0.4275 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0291 1.3007 -1.6355 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1376 -1.7892 0.9165 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 8 9 2 3 8 10 1 0 5 11 1 0 11 12 2 0 11 13 1 0 1 14 1 0 1 15 1 0 1 16 1 0 3 17 1 0 3 18 1 0 3 19 1 0 4 20 1 0 4 21 1 0 4 22 1 0 5 23 1 0 6 24 1 0 6 25 1 0 7 26 1 0 7 27 1 0 9 28 1 0 10 29 1 0 M CHG 2 2 1 13 -1 M END