70664506 -OEChem-03282417272D 68 68 0 1 0 0 0 0 0999 V2000 7.7538 7.1851 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 8.4610 8.7662 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 9.3348 6.4778 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 3.0182 3.4842 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.0319 4.9745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7950 4.2182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.2010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8566 6.1904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.6658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6510 8.1798 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.7485 7.2879 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.7590 7.0823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2344 10.8369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3931 3.7182 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3931 2.7182 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5271 2.2182 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6610 2.7182 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3393 4.0229 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3393 2.4134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5271 4.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9229 3.2182 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6610 3.7182 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7510 2.2113 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5431 1.1767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3931 4.7182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6451 0.6489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7430 1.1697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1493 4.6093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9229 3.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4163 3.1536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8242 2.7754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8076 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0465 5.6040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8763 2.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8679 1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1004 11.3369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4830 1.8729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2664 1.7988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0883 1.8465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8767 2.1042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9256 4.6931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1285 4.6931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2046 2.6659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6610 4.3382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7612 0.5963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1523 1.2922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0131 4.7182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3931 5.3382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7731 4.7182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2478 0.1729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0460 0.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9229 2.5982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5429 3.2182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9229 3.8382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0005 3.3612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2087 3.7378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8320 2.9461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4476 5.4345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8361 3.3953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7950 4.8382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8100 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7757 6.1617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4502 5.4341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3430 2.5636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4104 10.8000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6374 11.6469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7904 11.8739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6975 11.1469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 1 12 2 0 0 0 0 17 4 1 6 0 0 0 18 5 1 6 0 0 0 5 58 1 0 0 0 0 22 6 1 1 0 0 0 6 60 1 0 0 0 0 7 28 2 0 0 0 0 8 33 1 0 0 0 0 9 35 2 0 0 0 0 13 36 1 0 0 0 0 13 68 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 14 20 1 0 0 0 0 14 25 1 1 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 15 37 1 6 0 0 0 16 17 1 0 0 0 0 16 24 1 0 0 0 0 16 38 1 1 0 0 0 17 22 1 0 0 0 0 17 23 1 0 0 0 0 18 21 1 0 0 0 0 18 28 1 0 0 0 0 19 21 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 22 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 29 1 6 0 0 0 21 43 1 0 0 0 0 22 44 1 0 0 0 0 23 27 1 0 0 0 0 23 30 1 1 0 0 0 23 31 1 0 0 0 0 24 26 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 27 32 2 0 0 0 0 28 33 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 30 55 1 0 0 0 0 30 56 1 0 0 0 0 30 57 1 0 0 0 0 31 34 2 0 0 0 0 31 59 1 0 0 0 0 32 35 1 0 0 0 0 32 61 1 0 0 0 0 33 62 1 0 0 0 0 33 63 1 0 0 0 0 34 35 1 0 0 0 0 34 64 1 0 0 0 0 36 65 1 0 0 0 0 36 66 1 0 0 0 0 36 67 1 0 0 0 0 M CHG 4 2 1 3 1 10 -1 11 -1 M END > 70664506 > 1 > 964 > 10 > 3 > 3 > AAADcfB4PTIAAAAAAAAAAAAAAAAAAYAAAAAwYIAAAAAAAGDAAAAAGwAACCAAD1SggAICAAAAAxCIQqBSAIIAAAAgAAAICAFAAEgAEBIAAQAAQAAFgAAIAYPIzPDPgAAAAAAAAADAAAYAADAAAYAADAAAAA== > disodium;[2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] phosphate;methanol > disodium;[2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] phosphate;methanol > disodium;[2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] phosphate;methanol > disodium;[2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] phosphate;methanol > disodium;[2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoranyl-10,13,16-trimethyl-11,17-bis(oxidanyl)-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] phosphate;methanol > disodium;[2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-3-keto-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-keto-ethyl] phosphate;methanol > InChI=1S/C22H30FO8P.CH4O.2Na/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30;1-2;;/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30);2H,1H3;;/q;;2*+1/p-2/t12-,15+,16+,17+,19+,20+,21+,22+;;;/m1.../s1 > BWYKDUQUZLRERA-PYHPNWRESA-L > 548.15633632 > C23H32FNa2O9P > 548.4 > CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COP(=O)([O-])[O-])O)C)O)F)C.CO.[Na+].[Na+] > C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COP(=O)([O-])[O-])O)C)O)F)C.CO.[Na+].[Na+] > 167 > 548.15633632 > 0 > 36 > 8 > 0 > 0 > 0 > 0 > 4 > -1 > 1 5 255 > 14 25 5 15 37 6 16 38 5 21 29 6 23 30 5 17 4 6 18 5 6 22 6 5 $$$$