22829069 -OEChem-05102410252D 123128 0 1 0 0 0 0 0999 V2000 4.2930 -2.6562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2981 0.1705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9613 -3.0009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9226 2.3151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0275 -3.5297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2115 -1.9865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0371 1.5789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9413 0.0820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7768 -1.4780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0620 3.7783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6611 -2.0758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9092 0.5789 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4928 1.3836 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4928 -0.2258 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4817 2.1464 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9092 0.5789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4092 1.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4092 -0.2871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4092 1.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4092 -0.2871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4390 1.0789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4390 0.0789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9244 0.4053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9796 -0.9527 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.3146 -0.0105 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.3051 -0.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6280 -1.7140 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6662 0.7508 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9397 0.2317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6115 -1.5330 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.3051 1.5789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1711 0.0789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7459 1.7476 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.2890 -1.4626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1711 1.0789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9961 -1.1336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2600 -2.2942 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.1870 -1.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6491 2.1769 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8189 1.2818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9307 -3.1003 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.0811 -0.4280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5160 -2.1515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1736 -0.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0891 -1.4696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5487 -1.1840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1802 -3.2911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5522 2.6062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7289 3.1737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1973 -4.0641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9571 -1.9662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0036 -3.8586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3007 3.1299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3095 -2.8371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6320 3.6030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3585 3.4649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9537 -2.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4554 3.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9745 -3.7793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3075 4.4636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9918 1.6570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3016 2.0555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3016 -0.8977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9918 -0.4992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5169 2.0555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8266 1.6570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8266 -0.4992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5169 -0.8977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3002 1.9729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1365 0.9879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0320 -0.2052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7719 -1.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5224 0.5737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0301 -2.1859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2608 0.2816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2017 -0.3302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4466 -0.9353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7954 2.3656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8839 -0.5239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3863 -1.2458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1083 -1.7434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7464 -2.6787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9153 1.6170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1481 1.8072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2935 1.6111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4896 0.7565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7751 0.0638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6987 -0.8097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5722 -0.8861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2120 1.1562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4174 0.7856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -0.0090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7650 -1.7650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1297 -0.9676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3323 -0.6030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9613 1.8094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5058 0.7546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6203 -3.5572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8184 2.0463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1122 2.8724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2860 3.1662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2184 3.5256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5998 -4.2295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3627 -4.6617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7949 -3.8988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9720 2.9331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6491 -2.5043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4952 -2.2741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2650 -1.4281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8683 -4.4636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4818 -0.2217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6814 4.2211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5383 -3.1168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4139 -3.0720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3692 -2.1964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4059 2.4176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3903 -3.5716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7668 -4.3635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5586 -3.9870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9267 4.4952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2759 5.0828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6883 4.4320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 1 55 1 0 0 0 0 2 25 1 0 0 0 0 2 98 1 0 0 0 0 3 38 1 0 0 0 0 3 41 1 0 0 0 0 4 33 1 0 0 0 0 4107 1 0 0 0 0 5 41 1 0 0 0 0 5 53 1 0 0 0 0 6 37 1 0 0 0 0 6 58 1 0 0 0 0 7 35 2 0 0 0 0 8 42 1 0 0 0 0 8112 1 0 0 0 0 9 43 2 0 0 0 0 10 54 2 0 0 0 0 11 55 2 0 0 0 0 12 19 1 0 0 0 0 12 20 1 0 0 0 0 12 23 1 0 0 0 0 13 16 1 0 0 0 0 13 21 1 0 0 0 0 13 70 1 0 0 0 0 14 16 1 0 0 0 0 14 22 2 0 0 0 0 15 31 1 0 0 0 0 15 54 1 0 0 0 0 15 97 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 17 62 1 0 0 0 0 17 63 1 0 0 0 0 18 20 1 0 0 0 0 18 64 1 0 0 0 0 18 65 1 0 0 0 0 19 66 1 0 0 0 0 19 67 1 0 0 0 0 20 68 1 0 0 0 0 20 69 1 0 0 0 0 21 22 1 0 0 0 0 21 31 2 0 0 0 0 22 26 1 0 0 0 0 23 29 1 0 0 0 0 23 71 1 0 0 0 0 23 72 1 0 0 0 0 24 25 1 0 0 0 0 24 27 1 0 0 0 0 24 36 1 0 0 0 0 24 73 1 0 0 0 0 25 28 1 0 0 0 0 25 74 1 0 0 0 0 26 32 2 0 0 0 0 26 34 1 0 0 0 0 27 30 1 0 0 0 0 27 75 1 0 0 0 0 28 33 1 0 0 0 0 28 40 1 0 0 0 0 28 76 1 0 0 0 0 29 44 1 0 0 0 0 29 45 1 0 0 0 0 29 77 1 0 0 0 0 30 37 1 0 0 0 0 30 47 1 0 0 0 0 30 78 1 0 0 0 0 31 35 1 0 0 0 0 32 35 1 0 0 0 0 32 42 1 0 0 0 0 33 39 1 0 0 0 0 33 79 1 0 0 0 0 34 38 2 0 0 0 0 34 43 1 0 0 0 0 36 80 1 0 0 0 0 36 81 1 0 0 0 0 36 82 1 0 0 0 0 37 48 1 0 0 0 0 37 83 1 0 0 0 0 38 46 1 0 0 0 0 39 49 1 0 0 0 0 39 50 1 0 0 0 0 39 84 1 0 0 0 0 40 85 1 0 0 0 0 40 86 1 0 0 0 0 40 87 1 0 0 0 0 41 43 1 0 0 0 0 41 51 1 0 0 0 0 42 46 2 0 0 0 0 44 88 1 0 0 0 0 44 89 1 0 0 0 0 44 90 1 0 0 0 0 45 91 1 0 0 0 0 45 92 1 0 0 0 0 45 93 1 0 0 0 0 46 52 1 0 0 0 0 47 94 1 0 0 0 0 47 95 1 0 0 0 0 47 96 1 0 0 0 0 48 53 2 0 0 0 0 48 99 1 0 0 0 0 49100 1 0 0 0 0 49101 1 0 0 0 0 49102 1 0 0 0 0 50 56 2 0 0 0 0 50103 1 0 0 0 0 51104 1 0 0 0 0 51105 1 0 0 0 0 51106 1 0 0 0 0 52108 1 0 0 0 0 52109 1 0 0 0 0 52110 1 0 0 0 0 53111 1 0 0 0 0 54 57 1 0 0 0 0 55 60 1 0 0 0 0 56 59 1 0 0 0 0 56113 1 0 0 0 0 57 59 2 0 0 0 0 57 61 1 0 0 0 0 58114 1 0 0 0 0 58115 1 0 0 0 0 58116 1 0 0 0 0 59117 1 0 0 0 0 60118 1 0 0 0 0 60119 1 0 0 0 0 60120 1 0 0 0 0 61121 1 0 0 0 0 61122 1 0 0 0 0 61123 1 0 0 0 0 M END > 22829069 > 1 > 1870 > 14 > 5 > 5 > AAADcfB/vAAAAAAAAAAAAAAAAAAAASIAAAA8QIAAAAAAAEABAAAAHgAQCAAADRzhmAYDDoPABgCoA6XyXAKCCAAkIAAIiAHsCNicNzaG9T+meWCl9BeMucf4//7u4AADCAAYAADAAAYQADAAAAAAAAAAAA== > [(9Z,19Z,21E)-2,15,17-trihydroxy-1'-isobutyl-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,32-trioxo-spiro[8,33-dioxa-24,27,29-triazapentacyclo[23.6.1.14,7.05,31.026,30]tritriaconta-1(31),2,4,9,19,21,25,29-octaene-28,4'-piperidine]-13-yl] acetate > acetic acid [(9Z,19Z,21E)-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-1'-(2-methylpropyl)-6,23,32-trioxo-13-spiro[8,33-dioxa-24,27,29-triazapentacyclo[23.6.1.14,7.05,31.026,30]tritriaconta-1(31),2,4,9,19,21,25,29-octaene-28,4'-piperidine]yl] ester > [(9Z,19Z,21E)-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-1'-(2-methylpropyl)-6,23,32-trioxospiro[8,33-dioxa-24,27,29-triazapentacyclo[23.6.1.14,7.05,31.026,30]tritriaconta-1(31),2,4,9,19,21,25,29-octaene-28,4'-piperidine]-13-yl] acetate > [(9Z,19Z,21E)-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-1'-(2-methylpropyl)-6,23,32-trioxospiro[8,33-dioxa-24,27,29-triazapentacyclo[23.6.1.14,7.05,31.026,30]tritriaconta-1(31),2,4,9,19,21,25,29-octaene-28,4'-piperidine]-13-yl] acetate > [(9Z,19Z,21E)-11-methoxy-3,7,12,14,16,18,22-heptamethyl-1'-(2-methylpropyl)-2,15,17-tris(oxidanyl)-6,23,32-tris(oxidanylidene)spiro[8,33-dioxa-24,27,29-triazapentacyclo[23.6.1.14,7.05,31.026,30]tritriaconta-1(31),2,4,9,19,21,25,29-octaene-28,4'-piperidine]-13-yl] ethanoate > acetic acid [(9Z,19Z,21E)-2,15,17-trihydroxy-1'-isobutyl-6,23,32-triketo-11-methoxy-3,7,12,14,16,18,22-heptamethyl-spiro[8,33-dioxa-24,27,29-triazapentacyclo[23.6.1.14,7.05,31.026,30]tritriaconta-1(31),2,4,9,19,21,25,29-octaene-28,4'-piperidine]-13-yl] ester > InChI=1S/C46H62N4O11/c1-22(2)21-50-18-16-46(17-19-50)48-34-31-32-39(54)28(8)42-33(31)43(56)45(10,61-42)59-20-15-30(58-11)25(5)41(60-29(9)51)27(7)38(53)26(6)37(52)23(3)13-12-14-24(4)44(57)47-36(40(32)55)35(34)49-46/h12-15,20,22-23,25-27,30,37-38,41,49,52-54H,16-19,21H2,1-11H3,(H,47,57)/b13-12-,20-15-,24-14+ > ATEBXHFBFRCZMA-URACGSJNSA-N > 6.3 > 846.44150881 > C46H62N4O11 > 847.0 > CC1C=CC=C(C(=O)NC2=C3C(=NC4(N3)CCN(CC4)CC(C)C)C5=C(C2=O)C(=C(C6=C5C(=O)C(O6)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)C > CC1/C=C\C=C(\C(=O)NC2=C3C(=NC4(N3)CCN(CC4)CC(C)C)C5=C(C2=O)C(=C(C6=C5C(=O)C(O6)(O/C=C\C(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)/C > 206 > 846.44150881 > 0 > 61 > 0 > 9 > 3 > 0 > 0 > 1 > -1 > 1 5 255 > 27 1 3 25 2 3 24 36 3 26 32 8 26 34 8 28 40 3 30 47 3 32 42 8 34 38 8 38 46 8 39 49 3 33 4 3 41 51 3 42 46 8 37 6 3 $$$$