57366952 -OEChem-05201301062D 60 63 0 1 0 0 0 0 0999 V2000 9.7538 2.7852 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 5.0182 -0.9157 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.0319 0.5746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7950 -0.1817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0622 -0.1989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8566 1.7905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.7340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6510 3.7799 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 10.7485 2.8880 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.7590 2.6824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 -0.6817 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3931 -1.6817 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5271 -2.1817 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6610 -1.6817 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3393 -0.3770 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3393 -1.9864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5271 -0.1817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9229 -1.1817 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.6610 -0.6817 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.7510 -2.1886 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5431 -3.2232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 0.3183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6451 -3.7510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7430 -3.2302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1493 0.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9229 -1.1817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4163 -1.2463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8242 -1.6245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8076 -3.7799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0465 1.2041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8763 -2.1524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -3.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4830 -2.5269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2664 -2.6010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0883 -2.5534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8767 -2.2957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9256 0.2932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1285 0.2932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2046 -0.6294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6610 -0.0617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7612 -3.8036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1523 -3.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0131 0.3183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 0.9383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7731 0.3183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2478 -4.2270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0460 -4.2239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9229 -1.8017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5429 -1.1817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9229 -0.5617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0005 -1.0387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2087 -0.6620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8320 -1.4538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4476 1.0346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8361 -1.0046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7950 0.4383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -4.3999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7757 1.7618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4502 1.0342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3430 -1.8362 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 4 19 1 0 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 11 12 1 0 0 0 0 11 15 1 0 0 0 0 11 17 1 0 0 0 0 11 22 1 1 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 12 33 1 6 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 0 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 1 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 CHG 2 8 -1 9 -1 M END > 57366952 > 1 > 962 > 9 > 2 > 3 > AAADceB4PQIAAAAAAAAAAAAAAAAAAYAAAAAwYIAAAAAAAGDAAAAAGwAACCAAD1SggAICAAAAAxCIQqBSAIIAAAAgAAAICAFAAEgAEBIAAQAAQAAFgAAIAYPIzPDPgAAAAAAAAADAAAYAADAAAYAADAAAAA== > [2-[(8S,9R,10S,13S,14S,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 > [2-[(8S,9R,10S,13S,14S,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 > [2-[(8S,9R,10S,13S,14S,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 > [2-[(8S,9R,10S,13S,14S,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 > [2-[(8S,9R,10S,13S,14S,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 > 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)/p-2/t12?,15-,16-,17?,19-,20-,21-,22-/m0/s1 > VQODGRNSFPNSQE-IVVBZYGOSA-L > -0.1 > 470.150583 > C22H28FO8P-2 > 470.425085 > CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COP(=O)([O-])[O-])O)C)O)F)C > CC1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3(C(C[C@@]2([C@]1(C(=O)COP(=O)([O-])[O-])O)C)O)F)C > 147 > 470.150583 > -2 > 32 > 6 > 2 > 0 > 0 > 0 > 1 > 6 > 1 5 255 > 11 22 5 12 33 6 13 34 5 18 26 3 14 2 6 20 27 5 15 3 6 19 4 3 $$$$