Mrv1652309102209392D 26 29 0 0 1 0 999 V2000 4.0645 2.1393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2514 1.8856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8903 1.0787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3280 0.3794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7982 -0.2530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2993 -1.0768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9450 -0.0211 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9760 -0.7675 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4258 -1.6041 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.2637 -0.8911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7380 -0.2683 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0271 0.0402 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0298 0.8632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8302 1.0634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2679 0.3640 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0804 0.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3631 -0.5537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3635 -0.4785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8333 -1.1861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9978 -2.1036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6414 -2.9211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0207 -1.0434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2232 -1.5259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6236 -1.6503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0900 0.8785 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4715 1.4764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 7 5 1 1 0 0 0 7 8 1 0 0 0 0 8 9 1 1 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 6 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 15 14 1 6 0 0 0 11 15 1 0 0 0 0 7 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 19 22 2 0 0 0 0 11 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 7 25 1 0 0 0 0 3 25 1 0 0 0 0 25 26 1 1 0 0 0 M END > NP0297380 > NP-MRD > COC1=CC(=O)[C@]2([C@@H](Cl)C[C@]34NCC[C@]23CC(=O)C(OC)=C4OC)[C@H]1O > InChI=1S/C18H22ClNO6/c1-24-10-6-12(22)18(14(10)23)11(19)8-17-15(26-3)13(25-2)9(21)7-16(17,18)4-5-20-17/h6,11,14,20,23H,4-5,7-8H2,1-3H3/t11-,14-,16+,17+,18+/m0/s1 > SBALNGLYQFMKPR-MOSHLBJQSA-N > C18H22ClNO6 > 383.83 > 383.1135651 > 7 > 48 > 36.98686152141384 > 1 > 2 > 0 > 0 > (1R,1'S,5R,6'S,8'S)-8'-chloro-5-hydroxy-2',3',4-trimethoxy-10'-azaspiro[cyclopentane-1,7'-tricyclo[4.3.3.0^{1,6}]dodecane]-2',3-diene-2,4'-dione > -1.0130491250000007 > 0 > 4 > 1 > 16.718668009821233 > 13.17696644092926 > 8.606592638933355 > 94.09 > 95.88639999999997 > 3 > 1 > (1R,1'S,5R,6'S,8'S)-8'-chloro-5-hydroxy-2',3',4-trimethoxy-10'-azaspiro[cyclopentane-1,7'-tricyclo[4.3.3.0^{1,6}]dodecane]-2',3-diene-2,4'-dione > 0 > NP0297380 > (1r,1's,5r,6's,8's)-8'-chloro-5-hydroxy-2',3',4-trimethoxy-10'-azaspiro[cyclopentane-1,7'-tricyclo[4.3.3.0¹,⁶]dodecane]-2',3-diene-2,4'-dione $$$$