72201036 -OEChem-05132418092D 120126 0 1 0 0 0 0 0999 V2000 8.3420 7.4181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9007 8.2562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4183 7.0873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2410 10.8491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5241 10.4233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1233 11.3071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1070 6.6140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2410 5.1140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1896 2.3104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8817 3.5143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7690 5.4602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 6.3262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 7.8262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 4.3262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 8.0582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 4.3262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 6.3262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4363 9.0201 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 12.6310 3.1743 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4896 9.4154 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4896 8.5478 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4916 9.3093 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.8113 9.9563 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9655 8.1999 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9655 9.7632 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5891 8.9816 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8113 8.0068 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2410 8.1140 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2410 9.8491 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8891 10.8204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0913 11.1613 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5205 10.5080 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9442 9.2515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4363 8.2682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9923 8.5478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9442 10.7360 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.9923 9.4154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2410 7.1140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2403 9.6148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0181 6.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1572 9.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1070 11.3491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0992 9.5181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2075 12.3036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1070 5.6140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9730 5.1140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9730 4.1140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8390 5.6140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8390 3.6140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7051 5.1140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7051 4.1140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1902 2.3452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6697 2.8987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5745 1.5572 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6348 1.8993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8502 0.5960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 6.3262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 5.8262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7690 7.1922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 6.8262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 4.8262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7690 7.1922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5531 7.7001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6155 9.9168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5929 10.2904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1164 9.7251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0117 7.4201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7040 10.1591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0718 11.4128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4974 10.7005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1121 12.0111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2404 11.0611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7822 8.6530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3296 9.3332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0557 8.2947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4893 7.6505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6029 8.6554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2044 7.9652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0223 11.3511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2044 9.9980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6029 9.3077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0289 6.5314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6304 7.2216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5685 6.8409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2979 8.4009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7906 10.0417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5826 10.1317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5142 6.6591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3900 5.7911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5220 5.9153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4046 9.7844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7258 8.9686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9099 8.6473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7970 11.8861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6439 11.6591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4170 10.8122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6605 9.2546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8358 8.9568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 9.7815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5897 12.3557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2596 12.9214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8253 12.2514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8390 6.2340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8390 2.9940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2420 5.4240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2420 3.8040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1211 1.1344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4848 1.2977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0209 1.9856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4461 0.7669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0211 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2542 0.4251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3471 6.4088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7456 5.7185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1864 7.4043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8766 7.8028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0790 4.9232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.6362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5380 4.6362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9590 8.5952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24 1 1 1 0 0 0 1 84 1 0 0 0 0 26 2 1 6 0 0 0 2 85 1 0 0 0 0 27 3 1 6 0 0 0 3 40 1 0 0 0 0 29 4 1 1 0 0 0 4 42 1 0 0 0 0 32 5 1 1 0 0 0 5 43 1 0 0 0 0 36 6 1 6 0 0 0 6 44 1 0 0 0 0 7 38 1 0 0 0 0 7 45 1 0 0 0 0 8 45 2 0 0 0 0 9 52 2 0 0 0 0 10 53 2 0 0 0 0 11 57 1 0 0 0 0 11117 1 0 0 0 0 12 60 1 0 0 0 0 12118 1 0 0 0 0 13 60 2 0 0 0 0 14 61 1 0 0 0 0 14119 1 0 0 0 0 15 62 1 0 0 0 0 15120 1 0 0 0 0 16 61 2 0 0 0 0 17 62 2 0 0 0 0 18 22 1 0 0 0 0 18 34 1 0 0 0 0 18 39 1 0 0 0 0 19 47 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 20 29 1 1 0 0 0 21 27 1 0 0 0 0 21 28 1 0 0 0 0 21 63 1 6 0 0 0 22 24 1 0 0 0 0 22 64 1 0 0 0 0 23 25 1 0 0 0 0 23 30 1 0 0 0 0 23 65 1 6 0 0 0 24 26 1 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 32 1 0 0 0 0 25 66 1 6 0 0 0 26 33 1 0 0 0 0 27 67 1 0 0 0 0 28 34 1 0 0 0 0 28 35 1 0 0 0 0 28 38 1 6 0 0 0 29 37 1 0 0 0 0 29 68 1 0 0 0 0 30 31 1 0 0 0 0 30 69 1 0 0 0 0 30 70 1 0 0 0 0 31 32 1 0 0 0 0 31 36 1 0 0 0 0 31 71 1 6 0 0 0 32 72 1 0 0 0 0 33 36 1 0 0 0 0 33 73 1 0 0 0 0 33 74 1 0 0 0 0 34 75 1 0 0 0 0 34 76 1 0 0 0 0 35 37 1 0 0 0 0 35 77 1 0 0 0 0 35 78 1 0 0 0 0 36 79 1 0 0 0 0 37 80 1 0 0 0 0 37 81 1 0 0 0 0 38 82 1 0 0 0 0 38 83 1 0 0 0 0 39 41 1 0 0 0 0 39 86 1 0 0 0 0 39 87 1 0 0 0 0 40 88 1 0 0 0 0 40 89 1 0 0 0 0 40 90 1 0 0 0 0 41 91 1 0 0 0 0 41 92 1 0 0 0 0 41 93 1 0 0 0 0 42 94 1 0 0 0 0 42 95 1 0 0 0 0 42 96 1 0 0 0 0 43 97 1 0 0 0 0 43 98 1 0 0 0 0 43 99 1 0 0 0 0 44100 1 0 0 0 0 44101 1 0 0 0 0 44102 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 46 48 2 0 0 0 0 47 49 2 0 0 0 0 48 50 1 0 0 0 0 48103 1 0 0 0 0 49 51 1 0 0 0 0 49104 1 0 0 0 0 50 51 2 0 0 0 0 50105 1 0 0 0 0 51106 1 0 0 0 0 52 54 1 0 0 0 0 53 55 1 0 0 0 0 54 55 1 0 0 0 0 54 56 1 1 0 0 0 54107 1 0 0 0 0 55108 1 0 0 0 0 55109 1 0 0 0 0 56110 1 0 0 0 0 56111 1 0 0 0 0 56112 1 0 0 0 0 57 58 1 0 0 0 0 57 59 1 0 0 0 0 57 60 1 0 0 0 0 58 61 1 0 0 0 0 58113 1 0 0 0 0 58114 1 0 0 0 0 59 62 1 0 0 0 0 59115 1 0 0 0 0 59116 1 0 0 0 0 M END > 72201036 > 1 > 1610 > 18 > 6 > 15 > AAADcfB/PgAAAAAAAAAAAAAAAAAAAeMEAAA8YMGCB4gWAGABAAAAHgAACAAAD3zhmAYyyIMABgCIAiXSWAKCAAAlAgAIiAFIbMgLJj7AtZmGcYhn5CHb6cf//v+PgAAAAAACAADQAAaUADSgAaEADSgAAA== > citric acid;[(1R,2R,3R,4S,5R,6S,8R,9S,13S,16S,17R,18S)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-[(3S)-3-methyl-2,5-dioxo-pyrrolidin-1-yl]benzoate > 2-hydroxypropane-1,2,3-tricarboxylic acid;2-[(3S)-3-methyl-2,5-dioxo-1-pyrrolidinyl]benzoic acid [(1R,2R,3R,4S,5R,6S,8R,9S,13S,16S,17R,18S)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl ester > [(1R,2R,3R,4S,5R,6S,8R,9S,13S,16S,17R,18S)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-[(3S)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzoate;2-hydroxypropane-1,2,3-tricarboxylic acid > [(1R,2R,3R,4S,5R,6S,8R,9S,13S,16S,17R,18S)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-[(3S)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzoate;2-hydroxypropane-1,2,3-tricarboxylic acid > [(1R,2R,3R,4S,5R,6S,8R,9S,13S,16S,17R,18S)-11-ethyl-4,6,16,18-tetramethoxy-8,9-bis(oxidanyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-[(3S)-3-methyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate;2-oxidanylpropane-1,2,3-tricarboxylic acid > citric acid;2-[(3S)-2,5-diketo-3-methyl-pyrrolidino]benzoic acid [(1R,2R,3R,4S,5R,6S,8R,9S,13S,16S,17R,18S)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl ester > InChI=1S/C37H50N2O10.C6H8O7/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36;7-3(8)1-6(13,5(11)12)2-4(9)10/h8-11,19,21-22,24-25,27-30,33,43-44H,7,12-18H2,1-6H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t19-,21+,22+,24-,25-,27+,28-,29+,30-,33?,34-,35+,36+,37+;/m0./s1 > INBLZNJHDLEWPS-NQHSXROYSA-N > 874.37354839 > C43H58N2O17 > 874.9 > CCN1CC2(CCC(C34C2C(C(C31)(C5(CC(C6CC4C5C6OC)OC)O)O)OC)OC)COC(=O)C7=CC=CC=C7N8C(=O)CC(C8=O)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O > CCN1C[C@@]2(CC[C@@H]([C@]34[C@@H]2[C@@H]([C@@](C31)([C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5[C@H]6OC)OC)O)O)OC)OC)COC(=O)C7=CC=CC=C7N8C(=O)C[C@@H](C8=O)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O > 276 > 874.37354839 > 0 > 62 > 13 > 1 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 24 1 5 22 18 3 26 2 6 20 29 5 21 63 6 23 65 6 25 66 6 28 38 6 27 3 6 31 71 6 29 4 5 46 47 8 46 48 8 47 49 8 48 50 8 49 51 8 32 5 5 50 51 8 54 56 5 36 6 6 $$$$