60210730 -OEChem-04192408242D 64 65 0 1 0 0 0 0 0999 V2000 10.2973 7.1851 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.2891 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 6.8452 10.5782 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 5.5618 3.4842 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.5755 4.9745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3385 4.2182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6057 4.2010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4001 6.1904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5435 0.6658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1945 8.1798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2920 7.2879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3026 7.0823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9366 3.7182 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9366 2.7182 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0706 2.2182 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2046 2.7182 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8828 4.0229 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8828 2.4134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0706 4.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4664 3.2182 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.2046 3.7182 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.2946 2.2113 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0866 1.1767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9366 4.7182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1886 0.6489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2865 1.1697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6929 4.6093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4664 3.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9598 3.1536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3677 2.7754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3511 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5901 5.6040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4198 2.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4115 1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0266 1.8729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8100 1.7988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6318 1.8465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4202 2.1042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4691 4.6931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6721 4.6931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7482 2.6659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2046 4.3382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3047 0.5963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6958 1.2922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5566 4.7182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9366 5.3382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3166 4.7182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7913 0.1729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5896 0.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4664 2.5982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0864 3.2182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4664 3.8382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5440 3.3612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7522 3.7378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3756 2.9461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9911 5.4345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3797 3.3953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3385 4.8382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3535 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3192 6.1617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9938 5.4341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8865 2.5636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6967 8.5433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6555 6.7857 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 16 4 1 6 0 0 0 17 5 1 6 0 0 0 5 56 1 0 0 0 0 6 21 1 0 0 0 0 6 58 1 0 0 0 0 7 27 2 0 0 0 0 8 32 1 0 0 0 0 9 34 2 0 0 0 0 10 63 1 0 0 0 0 11 64 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 13 19 1 0 0 0 0 13 24 1 1 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 14 35 1 6 0 0 0 15 16 1 0 0 0 0 15 23 1 0 0 0 0 15 36 1 1 0 0 0 16 21 1 0 0 0 0 16 22 1 0 0 0 0 17 20 1 0 0 0 0 17 27 1 0 0 0 0 18 20 1 0 0 0 0 18 37 1 0 0 0 0 18 38 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 28 1 0 0 0 0 20 41 1 0 0 0 0 21 42 1 0 0 0 0 22 26 1 0 0 0 0 22 29 1 1 0 0 0 22 30 1 0 0 0 0 23 25 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 26 31 2 0 0 0 0 27 32 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 30 33 2 0 0 0 0 30 57 1 0 0 0 0 31 34 1 0 0 0 0 31 59 1 0 0 0 0 32 60 1 0 0 0 0 32 61 1 0 0 0 0 33 34 1 0 0 0 0 33 62 1 0 0 0 0 M CHG 2 2 1 3 1 M END > 60210730 > 1 > 973 > 9 > 4 > 4 > AAADceB4PTIAAAAAAAAAAAAAAAAAAYAAAAAwYIAAAAAAAGDAAAAAGwAACCAAD1SggAICAAAAAxCIQqBSAIIAAAAgAAAICAFAAEgAEBIAAQAAQAAFgAAIAYPIzPDPgAAAAAAAAADAAAYAADAAAYAADAAAAA== > disodium;[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] dihydrogen phosphate > disodium;[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] dihydrogen phosphate > disodium;[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] dihydrogen phosphate > disodium;[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] dihydrogen phosphate > disodium;[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] dihydrogen phosphate > disodium;[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] dihydrogen phosphate > InChI=1S/C22H30FO8P.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;;/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30);;/q;2*+1/t12?,15-,16-,17?,19-,20-,21-,22-;;/m0../s1 > PLCQGRYPOISRTQ-UEDIJPONSA-N > 518.14577163 > C22H30FNa2O8P+2 > 518.4 > CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COP(=O)(O)O)O)C)O)F)C.[Na+].[Na+] > 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.[Na+].[Na+] > 141 > 518.14577163 > 2 > 34 > 6 > 2 > 0 > 0 > 0 > 3 > -1 > 1 5 255 > 13 24 5 14 35 6 15 36 5 20 28 3 22 29 5 16 4 6 17 5 6 21 6 3 $$$$