27661 -OEChem-10051719283D 22 23 0 1 0 0 0 0 0999 V2000 -1.4908 -1.7744 -0.0017 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4257 0.9848 -0.7818 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8477 -0.5885 -0.5309 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9367 1.4617 0.8540 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6510 0.2814 1.3509 O 0 5 0 0 0 0 0 0 0 0 0 0 3.3436 1.1211 -0.5951 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6919 0.3587 0.1223 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.2566 0.2102 0.4176 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5715 -0.5016 0.6682 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7002 -0.9390 0.2093 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5847 0.3868 -0.0085 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1633 -1.9433 -0.5206 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8051 0.9421 -1.1837 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0259 0.8974 1.2202 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7627 -0.6780 1.7313 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9716 -1.3904 1.1739 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4954 -0.1320 -0.3216 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1815 -1.7683 -1.6022 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1665 -2.9737 -0.3565 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8690 0.2778 -2.0518 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1149 1.9482 -1.4806 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5512 2.0374 0.3675 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 12 1 0 0 0 0 2 8 1 0 0 0 0 2 13 1 0 0 0 0 3 7 1 0 0 0 0 3 10 1 0 0 0 0 4 11 1 0 0 0 0 4 22 1 0 0 0 0 5 7 1 0 0 0 0 6 7 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 12 19 1 0 0 0 0 13 20 1 0 0 0 0 13 21 1 0 0 0 0 M CHG 2 5 -1 7 1 M END > DB01020 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/YWXYYJSYQOXTPL-SLPGGIOYSA-N/SDF?record_type=3d > [H][C@]12OC[C@@H](O[N+]([O-])=O)[C@@]1([H])OC[C@@H]2O > InChI=1S/C6H9NO6/c8-3-1-11-6-4(13-7(9)10)2-12-5(3)6/h3-6,8H,1-2H2/t3-,4+,5+,6+/m0/s1 > YWXYYJSYQOXTPL-SLPGGIOYSA-N > C6H9NO6 > 191.1388 > 191.042987025 > 6 > 22 > -4.6225670200869195e-07 > 15.894390783454728 > 1 > 1 > 0 > 0 > (3R,3aS,6S,6aR)-6-hydroxy-hexahydrofuro[3,2-b]furan-3-yl nitrate > -0.74 > -0.7080970626666669 > -0.53 > 0 > 0 > 2 > 0 > 13.335085107437758 > -3.5270337740067252 > 91.06000000000002 > 37.07320000000001 > 2 > 1 > 5.70e+01 g/l > biotin > 0 $$$$