Mrv1652309072215292D 24 27 0 0 1 0 999 V2000 0.0924 -1.9461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2461 -1.1356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0249 -0.8634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1787 -0.0529 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9469 -0.3535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3211 -0.0513 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2984 0.7133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2927 1.4494 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2016 2.3030 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5309 2.6826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9295 2.7086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5340 2.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1731 1.3986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9969 1.4431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6293 0.6681 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2188 1.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7959 0.6557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2064 0.0785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1976 -0.7464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5964 1.3550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0493 2.0446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0216 0.6022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8457 0.5639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5359 -0.0974 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 4 3 1 6 0 0 0 4 5 1 1 0 0 0 4 6 1 0 0 0 0 6 7 1 6 0 0 0 8 7 1 1 0 0 0 8 9 1 0 0 0 0 9 10 1 6 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 8 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 4 15 1 0 0 0 0 15 16 1 6 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 15 18 1 0 0 0 0 18 19 2 0 0 0 0 8 20 1 0 0 0 0 20 21 1 6 0 0 0 20 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 6 24 1 0 0 0 0 M END > NP0250613 > NP-MRD > COC[C@]1(O)[C@H]2C[C@]3([C@H](C)CCC3(O)[C@]11COC1=O)[C@@H](O)C(=O)O2 > InChI=1S/C16H22O8/c1-8-3-4-16(21)13(8)5-9(24-11(18)10(13)17)15(20,7-22-2)14(16)6-23-12(14)19/h8-10,17,20-21H,3-7H2,1-2H3/t8-,9?,10+,13+,14+,15+,16?/m1/s1 > LXPKORXZVZPYLY-OXHHPNTKSA-N > C16H22O8 > 342.344 > 342.131467668 > 6 > 46 > 32.66318294557753 > 1 > 3 > 0 > 0 > (1'S,2'R,3R,7'S,8'R,11'R)-5',7',11'-trihydroxy-7'-(methoxymethyl)-2'-methyl-9'-oxaspiro[oxetane-3,6'-tricyclo[6.3.1.0^{1,5}]dodecane]-4,10'-dione > -1.3868562649999996 > 0 > 4 > 0 > 12.51071422107081 > 11.915357243731984 > -3.4583866959985885 > 122.52000000000002 > 76.8457 > 2 > 1 > (1'S,2'R,3R,7'S,8'R,11'R)-5',7',11'-trihydroxy-7'-(methoxymethyl)-2'-methyl-9'-oxaspiro[oxetane-3,6'-tricyclo[6.3.1.0^{1,5}]dodecane]-4,10'-dione > 0 > NP0250613 > (1's,2'r,3r,7's,8'r,11'r)-5',7',11'-trihydroxy-7'-(methoxymethyl)-2'-methyl-9'-oxaspiro[oxetane-3,6'-tricyclo[6.3.1.0¹,⁵]dodecane]-4,10'-dione $$$$