441478 -OEChem-10051720103D 23 23 0 1 0 0 0 0 0999 V2000 0.1982 -1.3365 0.0089 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6025 2.2881 0.7104 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0843 2.1892 -0.3939 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1815 0.0151 -0.2967 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8504 -2.4515 0.0623 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1769 0.4880 -0.3454 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6480 -1.4571 0.7191 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1021 1.2233 -0.0995 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3944 1.0799 0.1796 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8565 -0.0656 0.2283 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9377 -0.2043 -0.4343 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1688 -1.2825 -0.3912 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3223 -0.4861 0.0523 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2842 1.5150 -1.1413 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5763 1.1089 1.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9471 -0.1799 1.3157 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9586 -0.1831 -1.5309 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2373 -1.2776 -1.4852 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0974 3.0879 0.4843 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9314 2.1756 -1.3541 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5967 0.8079 0.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1082 -2.3191 0.9897 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0923 0.3221 -0.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 2 8 1 0 0 0 0 2 19 1 0 0 0 0 3 9 1 0 0 0 0 3 20 1 0 0 0 0 4 10 1 0 0 0 0 4 21 1 0 0 0 0 5 12 1 0 0 0 0 5 22 1 0 0 0 0 6 13 1 0 0 0 0 6 23 1 0 0 0 0 7 13 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 11 13 1 0 0 0 0 11 17 1 0 0 0 0 12 18 1 0 0 0 0 M END > DB03156 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/AEMOLEFTQBMNLQ-QIUUJYRFSA-N/SDF?record_type=3d > O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O > InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2-,3+,4-,6+/m0/s1 > AEMOLEFTQBMNLQ-QIUUJYRFSA-N > C6H10O7 > 194.1394 > 194.042652674 > 7 > 23 > -0.9998903561164441 > 16.370003221948352 > 1 > 5 > 0 > 0 > (2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid > -2.30 > -2.61226468 > 0.18 > 0 > -1 > 1 > -1 > 11.309229286068723 > 3.207791058651709 > -3.686336570225478 > 127.45000000000002 > 35.7908 > 1 > 1 > 2.95e+02 g/l > biotin > 0 $$$$