Mrv1909 01072121182D 31 34 0 0 0 0 999 V2000 -2.4460 -0.7364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4460 -1.5615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7339 -1.9698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7339 -0.3197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0219 -0.7364 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0254 -1.5615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3166 -1.9747 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4001 -1.5674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3096 -0.3246 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4037 -0.7473 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4207 0.9079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3042 0.5021 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1340 0.4854 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1207 -0.3411 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9025 -0.6094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3994 0.0513 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9243 0.7278 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.1598 -1.9750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0292 0.0844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3125 -1.1448 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.8044 1.1427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3875 0.0760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1332 1.3094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1124 -1.1615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9172 1.5510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8416 1.0177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1992 1.9574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6281 1.9698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6208 2.7948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1598 0.0232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3209 -2.7948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 13 1 0 0 0 0 7 8 1 0 0 0 0 2 18 2 0 0 0 0 8 10 1 0 0 0 0 5 19 1 1 0 0 0 9 10 1 0 0 0 0 9 20 1 6 0 0 0 3 6 2 0 0 0 0 12 21 1 1 0 0 0 5 4 1 0 0 0 0 10 22 1 1 0 0 0 5 6 1 0 0 0 0 13 23 1 1 0 0 0 14 24 1 6 0 0 0 9 12 1 0 0 0 0 17 25 1 1 0 0 0 16 30 1 6 0 0 0 10 14 1 0 0 0 0 17 26 1 6 0 0 0 13 11 1 0 0 0 0 25 27 2 0 0 0 0 11 12 1 0 0 0 0 25 28 1 0 0 0 0 13 14 1 0 0 0 0 28 29 1 0 0 0 0 1 2 1 0 0 0 0 1 4 2 0 0 0 0 7 31 1 1 0 0 0 M END > DBMET01645 > drugbank > [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@@H](O)C2=CC(=O)C=C[C@]12C > InChI=1S/C22H29FO6/c1-11-6-13-14-8-16(26)15-7-12(25)4-5-19(15,2)21(14,23)17(27)9-20(13,3)22(11,29)18(28)10-24/h4-5,7,11,13-14,16-17,24,26-27,29H,6,8-10H2,1-3H3/t11-,13+,14+,16-,17+,19+,20+,21+,22+/m1/s1 > RVBSTEHLLHXILB-QODHSQIYSA-N > C22H29FO6 > 408.466 > 408.194816817 > 6 > 58 > -4.302707188933942e-06 > 41.92952932414083 > 1 > 4 > 0 > 1 > (1R,2R,3aS,3bS,5R,9aS,9bR,10S,11aS)-9b-fluoro-1,5,10-trihydroxy-1-(2-hydroxyacetyl)-2,9a,11a-trimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one > 0.4507586126666677 > 0 > 0 > 4 > 0 > 13.447895287009743 > 12.421325717819666 > -3.006628523838568 > 115.06 > 104.00839999999997 > 2 > 1 > N-demethyldiltiazem > 0 > DBMET01645 > 6beta-Hydroxydexamethasone > 55879-47-5 > 017VSH97RJ $$$$