5381226 -OEChem-05072407492D 117121 0 1 0 0 0 0 0999 V2000 6.4547 -3.0940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0939 -2.4682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7575 0.1755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6460 -3.2517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4338 -1.8006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9068 0.1049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7905 -3.5746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5344 -0.4936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3037 3.2720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5553 3.3066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5553 -0.7626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1017 1.3211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4663 1.9524 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1431 3.8344 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1279 1.0114 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7397 1.3527 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5197 -1.3798 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5384 -1.5725 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1772 -2.1333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7083 -1.0148 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1584 -1.9406 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7762 -0.0171 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6054 -0.9748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9885 -2.4982 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9461 0.5405 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7271 -1.2075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0747 -1.5401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.8643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8865 -2.0582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0140 1.5382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7613 -3.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7166 -2.6158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9120 1.9782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3223 -4.1978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5017 -0.8029 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0388 -4.7754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3037 0.2720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5129 -0.6998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1698 0.7720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4377 0.7720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9798 2.9759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4721 -1.0443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4377 1.7720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1698 1.7720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3037 2.2720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5438 0.2373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8205 2.7160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4504 2.1298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6377 0.7512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1589 3.6570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7888 3.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6377 1.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5438 2.3066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9775 2.9081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0358 2.2720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7736 0.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9096 1.9104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4814 4.7754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9104 3.2682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0764 -1.1070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7867 -2.1406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8314 -2.6479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4088 -1.5577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1194 -1.3218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1838 -0.4843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8565 -0.4079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0385 -0.7237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3543 -1.5417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7878 -3.0848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4790 0.1328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6076 -0.5991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1187 -1.3270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8465 -1.8159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3230 -2.1082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6428 -1.2918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8264 -0.9720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4751 -2.5073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2008 1.4509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4134 1.0651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7992 0.2778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9286 -1.4396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0778 -0.3553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4993 1.8839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7674 -3.2337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4788 1.7271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7357 -3.9971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1216 -4.7844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9089 -4.3986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4432 -4.9474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2108 -5.3711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6345 -4.6034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5722 3.4431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3224 -1.6460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0737 -1.1940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6218 -0.4427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2824 3.0239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4238 2.2395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4528 1.5098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0614 2.0245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1565 4.2770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5479 3.7623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3269 2.7629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1855 3.5473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5460 0.7972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0857 -0.2879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3458 1.7350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5727 2.5820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7258 2.8089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1052 0.8519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0649 4.5656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6913 5.3588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8980 4.9852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1337 2.6898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4888 3.4915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6871 3.8466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8407 3.5820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0958 3.6104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19 1 1 1 0 0 0 1 31 1 0 0 0 0 18 2 1 6 0 0 0 2 77 1 0 0 0 0 22 3 1 6 0 0 0 3 82 1 0 0 0 0 24 4 1 6 0 0 0 4 34 1 0 0 0 0 5 32 1 0 0 0 0 5 35 1 0 0 0 0 6 35 1 0 0 0 0 6 39 1 0 0 0 0 7 31 2 0 0 0 0 8 38 2 0 0 0 0 9 45 1 0 0 0 0 9116 1 0 0 0 0 10 53 1 0 0 0 0 10117 1 0 0 0 0 11 46 2 0 0 0 0 12 57 2 0 0 0 0 13 15 1 0 0 0 0 13 47 1 0 0 0 0 13 48 1 0 0 0 0 14 50 1 0 0 0 0 14 51 1 0 0 0 0 14 58 1 0 0 0 0 15 56 1 0 0 0 0 15104 1 0 0 0 0 16 52 1 0 0 0 0 16 57 1 0 0 0 0 16109 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 23 1 1 0 0 0 17 60 1 0 0 0 0 18 20 1 0 0 0 0 18 61 1 0 0 0 0 19 21 1 0 0 0 0 19 62 1 0 0 0 0 20 22 1 0 0 0 0 20 26 1 6 0 0 0 20 63 1 0 0 0 0 21 24 1 0 0 0 0 21 27 1 6 0 0 0 21 64 1 0 0 0 0 22 25 1 0 0 0 0 22 65 1 0 0 0 0 23 66 1 0 0 0 0 23 67 1 0 0 0 0 23 68 1 0 0 0 0 24 29 1 0 0 0 0 24 69 1 0 0 0 0 25 28 1 1 0 0 0 25 30 1 0 0 0 0 25 70 1 0 0 0 0 26 71 1 0 0 0 0 26 72 1 0 0 0 0 26 73 1 0 0 0 0 27 74 1 0 0 0 0 27 75 1 0 0 0 0 27 76 1 0 0 0 0 28 78 1 0 0 0 0 28 79 1 0 0 0 0 28 80 1 0 0 0 0 29 32 2 0 0 0 0 29 81 1 0 0 0 0 30 33 2 0 0 0 0 30 83 1 0 0 0 0 31 36 1 0 0 0 0 32 84 1 0 0 0 0 33 41 1 0 0 0 0 33 85 1 0 0 0 0 34 86 1 0 0 0 0 34 87 1 0 0 0 0 34 88 1 0 0 0 0 35 38 1 0 0 0 0 35 42 1 1 0 0 0 36 89 1 0 0 0 0 36 90 1 0 0 0 0 36 91 1 0 0 0 0 37 38 1 0 0 0 0 37 39 2 0 0 0 0 37 40 1 0 0 0 0 39 44 1 0 0 0 0 40 43 2 0 0 0 0 40 46 1 0 0 0 0 41 54 2 0 0 0 0 41 92 1 0 0 0 0 42 93 1 0 0 0 0 42 94 1 0 0 0 0 42 95 1 0 0 0 0 43 45 1 0 0 0 0 43 53 1 0 0 0 0 44 45 2 0 0 0 0 44 55 1 0 0 0 0 46 49 1 0 0 0 0 47 50 1 0 0 0 0 47 96 1 0 0 0 0 47 97 1 0 0 0 0 48 51 1 0 0 0 0 48 98 1 0 0 0 0 48 99 1 0 0 0 0 49 52 1 0 0 0 0 49 56 2 0 0 0 0 50100 1 0 0 0 0 50101 1 0 0 0 0 51102 1 0 0 0 0 51103 1 0 0 0 0 52 53 2 0 0 0 0 54 57 1 0 0 0 0 54 59 1 0 0 0 0 55106 1 0 0 0 0 55107 1 0 0 0 0 55108 1 0 0 0 0 56105 1 0 0 0 0 58110 1 0 0 0 0 58111 1 0 0 0 0 58112 1 0 0 0 0 59113 1 0 0 0 0 59114 1 0 0 0 0 59115 1 0 0 0 0 M END > 5381226 > 1 > 1750 > 15 > 6 > 5 > AAADcfB/vAAAAAAAAAAAAAAAAAAAASAAAAA8QIAAAAAAAEiBAAAAHgAYCAAADRzhmAYCDoPiBgCIAqXWWAKCCAAkIAAYqIFMCMgcdz6GtR62eWCl5BWMucfb7PzO4AADCAAYAADAAAYQADAAAAAAAAAAAA== > [(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z,26E)-2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-[[(4-methylpiperazin-1-yl)amino]methylene]-6,23,27-trioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25(29)-heptaen-13-yl] acetate > acetic acid [(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z,26E)-2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-[[(4-methyl-1-piperazinyl)amino]methylidene]-6,23,27-trioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25(29)-heptaen-13-yl] ester > [(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z,26E)-2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-[[(4-methylpiperazin-1-yl)amino]methylidene]-6,23,27-trioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25(29)-heptaen-13-yl] acetate > [(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z,26E)-2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-[[(4-methylpiperazin-1-yl)amino]methylidene]-6,23,27-trioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25(29)-heptaen-13-yl] acetate > [(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z,26E)-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-[[(4-methylpiperazin-1-yl)amino]methylidene]-2,15,17,29-tetrakis(oxidanyl)-6,23,27-tris(oxidanylidene)-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25(29)-heptaen-13-yl] ethanoate > acetic acid [(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z,26E)-2,15,17,29-tetrahydroxy-6,23,27-triketo-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-[[(4-methylpiperazino)amino]methylene]-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25(29)-heptaen-13-yl] ester > InChI=1S/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,44,49-51,53H,15-18H2,1-10H3,(H,45,55)/b12-11+,19-14+,22-13-,28-20+/t21-,23+,24+,25+,29-,34-,35+,39+,43-/m0/s1 > FZYOVNIOYYPUPY-ZTWDQPHTSA-N > 4 > 822.40512330 > C43H58N4O12 > 822.9 > CC1C=CC=C(C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)OC(C4=O)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C(=O)C2=CNN5CCN(CC5)C)O)C > C[C@H]1/C=C/C=C(\C(=O)NC\2=C(C3=C(C4=C(C(=C3O)C)O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C(=O)/C2=C/NN5CCN(CC5)C)O)/C > 217 > 822.40512330 > 0 > 59 > 9 > 0 > 4 > 0 > 0 > 1 > -1 > 1 5 255 > 19 1 5 17 23 5 18 2 6 20 26 6 21 27 6 25 28 5 22 3 6 35 42 5 37 39 8 37 40 8 39 44 8 24 4 6 40 43 8 43 45 8 44 45 8 $$$$