42052075 -OEChem-03282413172D 62 65 0 1 0 0 0 0 0999 V2000 9.7538 2.6034 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 5.0182 -1.0974 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.0319 0.3928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7950 -0.3635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0622 -0.3807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8566 1.6087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.9158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6510 3.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7485 2.7062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7590 2.5006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 -0.8635 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3931 -1.8635 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5271 -2.3635 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6610 -1.8635 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3393 -0.5588 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3393 -2.1682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5271 -0.3635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9229 -1.3635 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6610 -0.8635 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7510 -2.3703 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5431 -3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 0.1365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6451 -3.9328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7430 -3.4119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1493 0.0276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9229 -1.3635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4163 -1.4280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8242 -1.8063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8076 -3.9617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0465 1.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8763 -2.3342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -3.4192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4830 -2.7087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2664 -2.7828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0883 -2.7351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8767 -2.4774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9256 0.1115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1285 0.1115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2046 -1.9158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6610 -0.2435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7612 -3.9854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1523 -3.2895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0131 0.1365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 0.7565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7731 0.1365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2478 -4.4087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0460 -4.4056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9229 -1.9835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5429 -1.3635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9229 -0.7435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0005 -1.2205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2087 -0.8438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8320 -1.6356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4476 0.8529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8361 -1.1864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7950 0.2565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -4.5817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7757 1.5800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4502 0.8525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3430 -2.0180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1532 3.9617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1120 2.2040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 1 10 2 0 0 0 0 14 2 1 6 0 0 0 15 3 1 6 0 0 0 3 54 1 0 0 0 0 19 4 1 1 0 0 0 4 56 1 0 0 0 0 5 25 2 0 0 0 0 6 30 1 0 0 0 0 7 32 2 0 0 0 0 8 61 1 0 0 0 0 9 62 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 11 17 1 0 0 0 0 11 22 1 6 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 12 33 1 1 0 0 0 13 14 1 0 0 0 0 13 21 1 0 0 0 0 13 34 1 1 0 0 0 14 19 1 0 0 0 0 14 20 1 0 0 0 0 15 18 1 0 0 0 0 15 25 1 0 0 0 0 16 18 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 19 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 26 1 6 0 0 0 18 39 1 0 0 0 0 19 40 1 0 0 0 0 20 24 1 0 0 0 0 20 27 1 6 0 0 0 20 28 1 0 0 0 0 21 23 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 29 2 0 0 0 0 25 30 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 28 31 2 0 0 0 0 28 55 1 0 0 0 0 29 32 1 0 0 0 0 29 57 1 0 0 0 0 30 58 1 0 0 0 0 30 59 1 0 0 0 0 31 32 1 0 0 0 0 31 60 1 0 0 0 0 M END > 42052075 > 1 > 973 > 9 > 4 > 4 > AAADceB4PQIAAAAAAAAAAAAAAAAAAYAAAAAwYIAAAAAAAGDAAAAAGwAACCAAD1SggAICAAAAAxCIQqBSAIIAAAAgAAAICAFAAEgAEBIAAQAAQAAFgAAIAYPIzPDPgAAAAAAAAADAAAYAADAAAYAADAAAAA== > [2-[(8S,9R,10R,11S,13R,14R,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] dihydrogen phosphate > [2-[(8S,9R,10R,11S,13R,14R,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] dihydrogen phosphate > [2-[(8S,9R,10R,11S,13R,14R,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] dihydrogen phosphate > [2-[(8S,9R,10R,11S,13R,14R,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] dihydrogen phosphate > [2-[(8S,9R,10R,11S,13R,14R,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] dihydrogen phosphate > [2-[(8S,9R,10R,11S,13R,14R,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] dihydrogen phosphate > InChI=1S/C22H30FO8P/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/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30)/t12-,15+,16-,17+,19-,20-,21+,22+/m1/s1 > VQODGRNSFPNSQE-RZZPDBGCSA-N > 0.1 > 472.16623307 > C22H30FO8P > 472.4 > CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COP(=O)(O)O)O)C)O)F)C > 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 > 141 > 472.16623307 > 0 > 32 > 8 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 22 6 12 33 5 13 34 5 18 26 6 14 2 6 20 27 6 15 3 6 19 4 5 $$$$