70633853 -OEChem-04232420362D 59 63 0 1 0 0 0 0 0999 V2000 11.3697 -2.0876 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.9438 -0.8685 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.4739 2.1556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3661 0.1453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7018 -1.3433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0375 -2.8319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1140 -1.4198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6254 -2.7555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6831 -1.8162 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4739 -0.8444 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.6718 -1.9192 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3399 -0.3444 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0770 -1.0114 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0882 -2.7245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6079 -0.3444 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.6079 0.6556 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.3399 0.6556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4739 1.1556 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.2060 0.1556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7140 -0.8790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7140 1.1903 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0555 -0.8052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8079 -0.3652 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8079 0.6764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5838 1.6836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7390 2.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7233 -1.5495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 1.2117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8079 2.8319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 2.2967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0938 -2.0087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9728 -1.2094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4080 -2.3441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4665 -1.4938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5744 -3.0716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5193 -3.1701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6127 -0.9643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1448 0.3456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9505 0.5480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5520 1.2382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0108 1.4656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5160 -0.3813 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7429 0.4656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8960 0.6926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3203 -1.3580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1185 -1.3488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2704 -0.0562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8896 1.1443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1231 1.9894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2780 2.2229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2819 2.5746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0108 2.4656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1970 -1.8772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9546 -2.1248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3284 0.8996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8150 3.4519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6442 -2.7041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9861 -0.8131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 1 9 2 0 0 0 0 24 2 1 6 0 0 0 3 19 1 0 0 0 0 3 53 1 0 0 0 0 4 23 2 0 0 0 0 5 28 1 0 0 0 0 6 31 2 0 0 0 0 7 58 1 0 0 0 0 8 59 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 10 32 1 0 0 0 0 11 13 1 0 0 0 0 11 16 1 0 0 0 0 11 33 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 12 34 1 1 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 13 20 1 1 0 0 0 14 23 1 1 0 0 0 14 35 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 16 21 1 0 0 0 0 16 38 1 0 0 0 0 17 19 1 0 0 0 0 17 22 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 42 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 24 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 25 1 0 0 0 0 22 26 1 1 0 0 0 22 27 1 0 0 0 0 23 28 1 0 0 0 0 24 25 1 0 0 0 0 24 48 1 0 0 0 0 25 29 2 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 27 30 2 0 0 0 0 27 52 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 29 31 1 0 0 0 0 29 56 1 0 0 0 0 30 31 1 0 0 0 0 30 57 1 0 0 0 0 M END > 70633853 > 1 > 956 > 8 > 3 > 4 > AAADceB4OQIAAAAAAAAAAAAAGAAAAYAAAAAwYMEAAAAAAGDAAAAAGwAACCAADxSggAICAAAAAxCIQqBSAIIAAAAgAAAICAFAAEgAEBIAAQAAQAAEgAAIAYOIzPDPgAAAAAAAAADAAAYAADAAAQAACAAAAA== > [2-[(3S,5R,6S,7S,11R,17S)-17-fluoro-9-hydroxy-7,11-dimethyl-14-oxo-6-pentacyclo[8.8.0.02,7.03,5.011,16]octadeca-12,15-dienyl]-2-oxo-ethyl] dihydrogen phosphate > [2-[(3S,5R,6S,7S,11R,17S)-17-fluoro-9-hydroxy-7,11-dimethyl-14-oxo-6-pentacyclo[8.8.0.02,7.03,5.011,16]octadeca-12,15-dienyl]-2-oxoethyl] dihydrogen phosphate > [2-[(3S,5R,6S,7S,11R,17S)-17-fluoro-9-hydroxy-7,11-dimethyl-14-oxo-6-pentacyclo[8.8.0.02,7.03,5.011,16]octadeca-12,15-dienyl]-2-oxoethyl] dihydrogen phosphate > [2-[(3S,5R,6S,7S,11R,17S)-17-fluoro-9-hydroxy-7,11-dimethyl-14-oxo-6-pentacyclo[8.8.0.02,7.03,5.011,16]octadeca-12,15-dienyl]-2-oxoethyl] dihydrogen phosphate > [2-[(3S,5R,6S,7S,11R,17S)-17-fluoranyl-7,11-dimethyl-9-oxidanyl-14-oxidanylidene-6-pentacyclo[8.8.0.02,7.03,5.011,16]octadeca-12,15-dienyl]-2-oxidanylidene-ethyl] dihydrogen phosphate > [2-[(3S,5R,6S,7S,11R,17S)-17-fluoro-9-hydroxy-14-keto-7,11-dimethyl-6-pentacyclo[8.8.0.02,7.03,5.011,16]octadeca-12,15-dienyl]-2-keto-ethyl] dihydrogen phosphate > InChI=1S/C22H28FO7P/c1-21-4-3-10(24)5-14(21)15(23)7-13-18-11-6-12(11)19(17(26)9-30-31(27,28)29)22(18,2)8-16(25)20(13)21/h3-5,11-13,15-16,18-20,25H,6-9H2,1-2H3,(H2,27,28,29)/t11-,12+,13?,15-,16?,18?,19+,20?,21-,22-/m0/s1 > JDDNCQRDOKOBER-PNRIJHCXSA-N > 0.8 > 454.15566839 > C22H28FO7P > 454.4 > CC12CC(C3C(C1C4CC4C2C(=O)COP(=O)(O)O)CC(C5=CC(=O)C=CC35C)F)O > C[C@]12CC(C3C(C1[C@H]4C[C@H]4[C@@H]2C(=O)COP(=O)(O)O)C[C@@H](C5=CC(=O)C=C[C@]35C)F)O > 121 > 454.15566839 > 0 > 31 > 6 > 4 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 10 3 12 34 5 13 20 5 14 23 5 16 21 3 17 19 3 24 2 6 22 26 5 19 3 3 $$$$