67363618 -OEChem-04192419082D 81 83 0 1 0 0 0 0 0999 V2000 3.0182 3.4842 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.0319 4.9745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7950 4.2182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.2010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8566 6.1904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.6658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0403 13.1476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1743 14.6476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4422 13.6476 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5762 9.1476 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3931 3.7182 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3931 2.7182 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5271 2.2182 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6610 2.7182 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3393 4.0229 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3393 2.4134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5271 4.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9229 3.2182 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6610 3.7182 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7510 2.2113 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5431 1.1767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3931 4.7182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6451 0.6489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7430 1.1697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1493 4.6093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9229 3.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4163 3.1536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8242 2.7754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8076 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0465 5.6040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8763 2.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8679 1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4422 11.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3083 12.1476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4422 10.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3083 13.1476 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5762 10.1476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1743 13.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4830 1.8729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2664 1.7988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0883 1.8465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8767 2.1042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9256 4.6931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1285 4.6931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2046 2.6659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6610 4.3382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7612 0.5963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1523 1.2922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0131 4.7182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3931 5.3382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7731 4.7182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2478 0.1729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0460 0.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9229 2.5982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5429 3.2182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9229 3.8382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0005 3.3612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2087 3.7378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8320 2.9461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4476 5.4345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8361 3.3953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7950 4.8382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8100 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7757 6.1617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4502 5.4341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3430 2.5636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7928 6.8071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2302 12.2302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8317 11.5399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5203 11.5649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9189 12.2552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6543 10.0649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0528 10.7552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7713 12.8376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3642 10.7302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9656 10.0399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9053 13.3376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4422 14.2676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0393 8.8376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1132 8.8376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5773 13.4576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14 1 1 6 0 0 0 15 2 1 6 0 0 0 2 60 1 0 0 0 0 19 3 1 1 0 0 0 3 62 1 0 0 0 0 4 25 2 0 0 0 0 5 30 1 0 0 0 0 5 67 1 0 0 0 0 6 32 2 0 0 0 0 7 38 1 0 0 0 0 7 81 1 0 0 0 0 8 38 2 0 0 0 0 9 36 1 0 0 0 0 9 77 1 0 0 0 0 9 78 1 0 0 0 0 10 37 1 0 0 0 0 10 79 1 0 0 0 0 10 80 1 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 39 1 6 0 0 0 13 14 1 0 0 0 0 13 21 1 0 0 0 0 13 40 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 41 1 0 0 0 0 16 42 1 0 0 0 0 17 19 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 26 1 6 0 0 0 18 45 1 0 0 0 0 19 46 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 47 1 0 0 0 0 21 48 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 23 24 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 24 29 2 0 0 0 0 25 30 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 27 57 1 0 0 0 0 27 58 1 0 0 0 0 27 59 1 0 0 0 0 28 31 2 0 0 0 0 28 61 1 0 0 0 0 29 32 1 0 0 0 0 29 63 1 0 0 0 0 30 64 1 0 0 0 0 30 65 1 0 0 0 0 31 32 1 0 0 0 0 31 66 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 33 68 1 0 0 0 0 33 69 1 0 0 0 0 34 36 1 0 0 0 0 34 70 1 0 0 0 0 34 71 1 0 0 0 0 35 37 1 0 0 0 0 35 72 1 0 0 0 0 35 73 1 0 0 0 0 36 38 1 0 0 0 0 36 74 1 0 0 0 0 37 75 1 0 0 0 0 37 76 1 0 0 0 0 M END > 67363618 > 1 > 911 > 10 > 6 > 7 > AAADcfB7OQAAAAAAAAAAAAAAAAAAAYAAAAAwYIAAAAAAAGDAAAAAHwAQCAAAD3zhgAYCCABAAgCIAqDSCAIAAAAgAAAICIHAAEgCEBIAgQAAQAAFkAAIAYPYzPDPgAAAAAAAAADAAAYAADAAAYAADAAAAA== > 2,6-diaminohexanoic acid;(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one > 2,6-diaminohexanoic acid;(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxy-1-oxoethyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one > 2,6-diaminohexanoic acid;(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one > 2,6-diaminohexanoic acid;(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one > 2,6-bis(azanyl)hexanoic acid;(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoranyl-10,13,16-trimethyl-11,17-bis(oxidanyl)-17-(2-oxidanylethanoyl)-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one > 2,6-diaminohexanoic acid;(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-17-glycoloyl-11,17-dihydroxy-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one > InChI=1S/C22H29FO5.C6H14N2O2/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24;7-4-2-1-3-5(8)6(9)10/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3;5H,1-4,7-8H2,(H,9,10)/t12-,15+,16+,17+,19+,20+,21+,22+;/m1./s1 > VWAHBWAPTRFSGK-WKSAPEMMSA-N > 538.30542988 > C28H43FN2O7 > 538.6 > CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C.C(CCN)CC(C(=O)O)N > C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)F)C.C(CCN)CC(C(=O)O)N > 184 > 538.30542988 > 0 > 38 > 8 > 1 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 14 1 6 11 22 5 12 39 6 13 40 5 18 26 6 15 2 6 20 27 5 19 3 5 36 9 3 $$$$