70210328 -OEChem-05132413112D 63 66 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 8.1337 1.4306 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 1 0 0 0 0 0 0 0 0 0 7.3931 -1.8635 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.5271 -2.3635 0.0000 C 0 0 3 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 1 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 3 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 7.4587 -2.4800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0664 -2.6694 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 8.5443 0.6588 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 8.0700 2.0473 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 9 1 0 0 0 0 1 10 1 0 0 0 0 1 11 2 0 0 0 0 15 2 1 6 0 0 0 16 3 1 6 0 0 0 3 55 1 0 0 0 0 20 4 1 1 0 0 0 4 57 1 0 0 0 0 5 26 2 0 0 0 0 6 31 1 0 0 0 0 7 31 1 0 0 0 0 7 61 1 0 0 0 0 8 33 2 0 0 0 0 9 62 1 0 0 0 0 10 63 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 12 18 1 0 0 0 0 12 23 1 1 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 22 1 0 0 0 0 14 35 1 0 0 0 0 15 20 1 0 0 0 0 15 21 1 0 0 0 0 16 19 1 0 0 0 0 16 26 1 0 0 0 0 17 19 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 20 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 27 1 6 0 0 0 19 40 1 0 0 0 0 20 41 1 0 0 0 0 21 25 1 0 0 0 0 21 28 1 1 0 0 0 21 29 1 0 0 0 0 22 24 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 25 30 2 0 0 0 0 26 31 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 29 32 2 0 0 0 0 29 56 1 0 0 0 0 30 33 1 0 0 0 0 30 58 1 0 0 0 0 31 59 1 0 0 0 0 32 33 1 0 0 0 0 32 60 1 0 0 0 0 M END > 70210328 > 1 > 1010 > 10 > 5 > 4 > AAADceB4PQIAAAAAAAAAAAAAAAAAAYAAAAAwYIAAAAAAAGDAAAAAGwAACCAAD1SwgAMCCAAAAxCIQqBSAIIAAAAgAAAICAFAAEgAEBIAAQAAQAAFgAAIAYPIzPDPgAAAAAAAAADAAAYAADAAAYAADAAAAA== > [2-[(9R,10S,11S,13S,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]-1-hydroxy-2-oxo-ethyl] dihydrogen phosphate > [2-[(9R,10S,11S,13S,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]-1-hydroxy-2-oxoethyl] dihydrogen phosphate > [2-[(9R,10S,11S,13S,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]-1-hydroxy-2-oxoethyl] dihydrogen phosphate > [2-[(9R,10S,11S,13S,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]-1-hydroxy-2-oxoethyl] dihydrogen phosphate > [2-[(9R,10S,11S,13S,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]-1-oxidanyl-2-oxidanylidene-ethyl] dihydrogen phosphate > [2-[(9R,10S,11S,13S,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]-1-hydroxy-2-keto-ethyl] dihydrogen phosphate > InChI=1S/C22H30FO9P/c1-11-8-15-14-5-4-12-9-13(24)6-7-19(12,2)21(14,23)16(25)10-20(15,3)22(11,28)17(26)18(27)32-33(29,30)31/h6-7,9,11,14-16,18,25,27-28H,4-5,8,10H2,1-3H3,(H2,29,30,31)/t11-,14?,15?,16+,18?,19+,20+,21+,22+/m1/s1 > OUHHENAPBGEGEI-GTSSHHBUSA-N > 0.6 > 488.16114769 > C22H30FO9P > 488.4 > CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)C(O)OP(=O)(O)O)O)C)O)F)C > C[C@@H]1CC2C3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)C(O)OP(=O)(O)O)O)C)O)F)C > 162 > 488.16114769 > 0 > 33 > 6 > 3 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 12 23 5 13 17 3 14 22 3 19 27 6 15 2 6 21 28 5 16 3 6 20 4 5 31 7 3 $$$$