76935 -OEChem-10051719483D 27 27 0 1 0 0 0 0 0999 V2000 -0.8887 0.4289 0.7554 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0622 -2.3026 0.6898 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4546 -1.6568 -0.5588 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7047 1.0551 0.3683 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2770 2.0614 -0.5006 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4560 -0.1609 0.0191 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0406 -1.4698 -0.4721 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3746 -0.7280 -0.5946 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1145 -0.4683 -0.3431 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5306 0.2709 0.5521 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3128 1.1949 0.6326 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4539 -1.1548 -0.0975 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8441 2.9299 -0.4507 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1033 -2.1328 -1.3318 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -0.2107 -1.5601 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1967 0.1262 -1.2614 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6552 -0.2753 1.4947 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4066 1.8194 1.5295 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4567 -1.7294 0.8342 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7157 -1.8220 -0.9239 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0003 -1.7344 1.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2802 -1.1453 -0.6096 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7643 1.6741 1.1159 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2041 0.4266 0.7521 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7685 3.6281 -1.2891 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8466 3.5099 0.4776 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7843 2.3816 -0.5546 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 11 1 0 0 0 0 2 7 1 0 0 0 0 2 21 1 0 0 0 0 3 8 1 0 0 0 0 3 22 1 0 0 0 0 4 10 1 0 0 0 0 4 23 1 0 0 0 0 5 11 1 0 0 0 0 5 13 1 0 0 0 0 6 12 1 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 14 1 0 0 0 0 8 10 1 0 0 0 0 8 15 1 0 0 0 0 9 12 1 0 0 0 0 9 16 1 0 0 0 0 10 11 1 0 0 0 0 10 17 1 0 0 0 0 11 18 1 0 0 0 0 12 19 1 0 0 0 0 12 20 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 M END > DB02100 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/HOVAGTYPODGVJG-PZRMXXKTSA-N/SDF?record_type=3d > CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O > InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4+,5+,6-,7+/m1/s1 > HOVAGTYPODGVJG-PZRMXXKTSA-N > C7H14O6 > 194.1825 > 194.07903818 > 6 > 27 > -7.071103771145082e-06 > 18.065876848981418 > 1 > 4 > 0 > 0 > (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol > -2.49 > -2.2894127143333334 > 0.65 > 0 > 0 > 1 > 0 > 13.200415670112982 > 12.21139322915757 > -2.981083281156967 > 99.38000000000001 > 40.67459999999999 > 2 > 1 > 8.62e+02 g/l > biotin > 0 $$$$