70504958 -OEChem-04262401132D 63 66 0 1 0 0 0 0 0999 V2000 2.9872 1.0638 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 5.6489 -3.5791 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.0319 1.7465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7950 0.9902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8435 0.5472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0622 0.9730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8566 2.9624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1310 1.5804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5038 1.9200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4706 0.2076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 0.4902 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3931 -0.5098 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5271 -1.0098 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6610 -0.5098 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3393 0.7949 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3393 -0.8146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5271 0.9902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9229 -0.0098 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.6610 0.4902 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7510 -1.0167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5431 -2.0513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 1.4902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6451 -2.5791 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.7430 -2.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1493 1.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9229 -0.0098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7587 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8242 -0.4526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8076 -2.6080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0465 2.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8763 -0.9805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -2.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4830 -1.3551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2664 -1.4291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3972 -0.0848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0883 -1.3815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8767 -1.1238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9256 1.4651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1285 1.4651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2046 -0.5621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6610 1.1102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7612 -2.6317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1523 -1.9358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0131 1.4902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 2.1102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7731 1.4902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1087 -2.8901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9229 -0.6298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5429 -0.0098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9229 0.6102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3787 -0.0215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7635 0.6033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1388 -0.0119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4476 2.2065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7950 1.6102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -3.2280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7757 2.9337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4502 2.2061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3430 -0.6644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7928 3.5791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1430 2.2003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2042 2.4628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 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 2 24 1 0 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 56 1 0 0 0 0 5 29 1 0 0 0 0 6 26 2 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 6 0 0 0 14 15 1 0 0 0 0 14 22 1 0 0 0 0 14 35 1 1 0 0 0 15 20 1 0 0 0 0 15 21 1 0 0 0 0 15 36 1 6 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 37 1 0 0 0 0 17 38 1 0 0 0 0 18 20 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 27 1 0 0 0 0 19 41 1 0 0 0 0 20 42 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 43 1 0 0 0 0 22 44 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 25 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 30 33 1 0 0 0 0 30 57 1 0 0 0 0 31 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 > 70504958 > 1 > 1000 > 10 > 5 > 4 > AAADceB4PQIAAAAAAAAAAAAAAAAAAYAAAAAwYIAAAAAAAGDAAAAAGwAACCAAD1SggAICAAAAAxCIQqBSAIIAAAAgIAAACAFAAEgAEBIAAQAAQAAFwAAIAQPIzPDPgAAAAAAAAADAAAYAADAAAYAADAAAAA== > [(8S,9S,10R,11S,13S,14S,17R)-6-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-1-yl] dihydrogen phosphate > [(8S,9S,10R,11S,13S,14S,17R)-6-fluoro-11,17-dihydroxy-17-(2-hydroxy-1-oxoethyl)-10,13,16-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-1-yl] dihydrogen phosphate > [(8S,9S,10R,11S,13S,14S,17R)-6-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-1-yl] dihydrogen phosphate > [(8S,9S,10R,11S,13S,14S,17R)-6-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-1-yl] dihydrogen phosphate > [(8S,9S,10R,11S,13S,14S,17R)-6-fluoranyl-10,13,16-trimethyl-11,17-bis(oxidanyl)-17-(2-oxidanylethanoyl)-3-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-1-yl] dihydrogen phosphate > [(8S,9S,10R,11S,13S,14S,17R)-6-fluoro-17-glycoloyl-11,17-dihydroxy-3-keto-10,13,16-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-1-yl] dihydrogen phosphate > InChI=1S/C22H30FO9P/c1-10-4-13-12-7-15(23)14-5-11(25)6-18(32-33(29,30)31)21(14,3)19(12)16(26)8-20(13,2)22(10,28)17(27)9-24/h5-6,10,12-13,15-16,19,24,26,28H,4,7-9H2,1-3H3,(H2,29,30,31)/t10?,12-,13-,15?,16-,19+,20-,21+,22-/m0/s1 > LWSFLOIXGGRZCI-IYOWBDMTSA-N > 0 > 488.16114769 > C22H30FO9P > 488.4 > CC1CC2C3CC(C4=CC(=O)C=C(C4(C3C(CC2(C1(C(=O)CO)O)C)O)C)OP(=O)(O)O)F > CC1C[C@H]2[C@@H]3CC(C4=CC(=O)C=C([C@@]4([C@H]3[C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)C)OP(=O)(O)O)F > 162 > 488.16114769 > 0 > 33 > 7 > 2 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 12 23 5 13 34 6 14 35 5 15 36 6 19 27 3 24 2 3 21 28 5 16 3 6 20 4 5 $$$$