6918267 -OEChem-05102422232D 122125 0 1 0 0 0 0 0999 V2000 5.5517 -0.8149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4294 1.4316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0176 1.3099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8197 -0.8149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8837 2.8099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5517 -2.8149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0694 3.8490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6157 1.8099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4818 3.3099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9786 5.0561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4836 3.8490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5873 4.2108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8197 -3.8149 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.5858 0.4439 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5517 0.1851 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5176 0.4439 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0176 1.3099 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6948 -0.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6857 -1.3149 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5176 2.1760 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9877 0.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7422 -0.5438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4417 1.5880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8197 -2.8149 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6857 -2.3149 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1264 -0.3494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8837 1.8099 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9536 -2.3149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1829 2.5540 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6157 1.8099 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7497 1.3099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9536 -1.3149 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6157 2.8099 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7497 3.3099 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2374 4.0902 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5262 2.0454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7765 3.1419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3714 3.5902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1034 3.5902 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9536 -4.3149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1950 2.3987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1157 0.9439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0876 -0.8149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6857 -4.3149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7497 4.3099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9729 2.5987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9445 4.7973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9536 -5.3149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0876 -3.8149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1157 2.6760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0490 2.2160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0127 5.3149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0598 -0.1923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3184 -0.1432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3276 0.7730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2130 -0.4003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0325 -0.5301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2226 -1.6249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2434 1.6199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1299 -0.6408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8392 -1.1562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3546 -0.4468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2827 -3.1249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6857 -2.9349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6345 -0.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5038 -0.8413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6183 0.0280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3467 2.1199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3431 -2.2072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7416 -2.8975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7498 2.9976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3512 0.8350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1482 0.8350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9536 -0.6949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6157 3.4299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2128 3.6199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4453 2.6601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9115 1.9645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6071 1.4307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9030 1.1530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3876 0.4436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0970 -0.0718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5696 3.1814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9536 -3.6949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0987 3.0112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5825 2.3025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2912 1.7862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5788 0.6339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4257 0.4070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6527 1.2539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3976 -0.2780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5507 -0.5049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7776 -1.3518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0887 -2.5049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3757 -4.8518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2226 -4.6249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9957 -3.7780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3697 4.3099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7497 4.9299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1297 4.3099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1071 1.9934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5923 2.6258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3829 4.3589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3829 5.2357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5061 5.2357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4818 3.9299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3336 -5.3149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9536 -5.9349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5736 -5.3149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3976 -3.2780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5507 -3.5049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7776 -4.3518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6527 2.3660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4257 3.2129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5788 2.9860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8118 2.7888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4762 1.9788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2863 1.6432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1731 5.9138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4138 5.4754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8522 4.7160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15 1 1 1 0 0 0 19 1 1 1 0 0 0 2 14 1 0 0 0 0 2 23 1 0 0 0 0 17 3 1 1 0 0 0 27 3 1 6 0 0 0 4 19 1 0 0 0 0 4 32 1 0 0 0 0 5 27 1 0 0 0 0 5 34 1 0 0 0 0 25 6 1 6 0 0 0 6 95 1 0 0 0 0 7 38 1 0 0 0 0 7 40 1 0 0 0 0 30 8 1 6 0 0 0 8 51 1 0 0 0 0 33 9 1 6 0 0 0 9107 1 0 0 0 0 35 10 1 6 0 0 0 10 53 1 0 0 0 0 11 38 2 0 0 0 0 12 39 2 0 0 0 0 24 13 1 1 0 0 0 13 41 1 0 0 0 0 13 45 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 14 22 1 6 0 0 0 15 16 1 0 0 0 0 15 54 1 0 0 0 0 16 17 1 0 0 0 0 16 26 1 6 0 0 0 16 55 1 0 0 0 0 17 20 1 0 0 0 0 17 56 1 0 0 0 0 18 21 1 0 0 0 0 18 57 1 0 0 0 0 18 58 1 0 0 0 0 19 25 1 0 0 0 0 19 59 1 0 0 0 0 20 36 1 1 0 0 0 20 38 1 0 0 0 0 20 60 1 0 0 0 0 21 23 2 0 0 0 0 21 37 1 0 0 0 0 22 61 1 0 0 0 0 22 62 1 0 0 0 0 22 63 1 0 0 0 0 23 29 1 0 0 0 0 24 25 1 0 0 0 0 24 28 1 0 0 0 0 24 64 1 0 0 0 0 25 65 1 0 0 0 0 26 66 1 0 0 0 0 26 67 1 0 0 0 0 26 68 1 0 0 0 0 27 31 1 0 0 0 0 27 69 1 0 0 0 0 28 32 1 0 0 0 0 28 70 1 0 0 0 0 28 71 1 0 0 0 0 29 39 1 0 0 0 0 29 42 1 6 0 0 0 29 72 1 0 0 0 0 30 31 1 0 0 0 0 30 33 1 0 0 0 0 30 43 1 0 0 0 0 31 73 1 0 0 0 0 31 74 1 0 0 0 0 32 44 1 1 0 0 0 32 75 1 0 0 0 0 33 34 1 0 0 0 0 33 76 1 0 0 0 0 34 46 1 1 0 0 0 34 77 1 0 0 0 0 35 39 1 0 0 0 0 35 40 1 0 0 0 0 35 48 1 0 0 0 0 36 78 1 0 0 0 0 36 79 1 0 0 0 0 36 80 1 0 0 0 0 37 81 1 0 0 0 0 37 82 1 0 0 0 0 37 83 1 0 0 0 0 40 47 1 6 0 0 0 40 84 1 0 0 0 0 41 49 1 0 0 0 0 41 50 1 0 0 0 0 41 85 1 0 0 0 0 42 86 1 0 0 0 0 42 87 1 0 0 0 0 42 88 1 0 0 0 0 43 89 1 0 0 0 0 43 90 1 0 0 0 0 43 91 1 0 0 0 0 44 92 1 0 0 0 0 44 93 1 0 0 0 0 44 94 1 0 0 0 0 45 96 1 0 0 0 0 45 97 1 0 0 0 0 45 98 1 0 0 0 0 46 99 1 0 0 0 0 46100 1 0 0 0 0 46101 1 0 0 0 0 47 52 1 0 0 0 0 47102 1 0 0 0 0 47103 1 0 0 0 0 48104 1 0 0 0 0 48105 1 0 0 0 0 48106 1 0 0 0 0 49108 1 0 0 0 0 49109 1 0 0 0 0 49110 1 0 0 0 0 50111 1 0 0 0 0 50112 1 0 0 0 0 50113 1 0 0 0 0 51114 1 0 0 0 0 51115 1 0 0 0 0 51116 1 0 0 0 0 52117 1 0 0 0 0 52118 1 0 0 0 0 52119 1 0 0 0 0 53120 1 0 0 0 0 53121 1 0 0 0 0 53122 1 0 0 0 0 M END > 6918267 > 1 > 1330 > 13 > 2 > 9 > AAADcfB+PAAAAAAAAAAAAAAAAAAAAQAAAAAkSAAAAAAAAAAAAAAAHgAACAAADXzxgAcCCAMABgCIAoDQCAIACAAgIAAACAFIAAgTEBYAgAQmQAAH4ACfAAPI7PzOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (2S,4R,5R,8R,9S,10S,11R,12R)-5-ethyl-11-[(2S,3R,4S,6R)-3-hydroxy-4-[isopropyl(methyl)amino]-6-methyl-tetrahydropyran-2-yl]oxy-9-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-4-methoxy-2,4,8,10,12,14-hexamethyl-6,15-dioxabicyclo[10.2.1]pentadec-1(14)-ene-3,7-dione > (2S,4R,5R,8R,9S,10S,11R,12R)-5-ethyl-9-[[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-2-oxanyl]oxy]-11-[[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-[methyl(propan-2-yl)amino]-2-oxanyl]oxy]-4-methoxy-2,4,8,10,12,14-hexamethyl-6,15-dioxabicyclo[10.2.1]pentadec-1(14)-ene-3,7-dione > (2S,4R,5R,8R,9S,10S,11R,12R)-5-ethyl-9-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-11-[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-[methyl(propan-2-yl)amino]oxan-2-yl]oxy-4-methoxy-2,4,8,10,12,14-hexamethyl-6,15-dioxabicyclo[10.2.1]pentadec-1(14)-ene-3,7-dione > (2S,4R,5R,8R,9S,10S,11R,12R)-5-ethyl-9-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-11-[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-[methyl(propan-2-yl)amino]oxan-2-yl]oxy-4-methoxy-2,4,8,10,12,14-hexamethyl-6,15-dioxabicyclo[10.2.1]pentadec-1(14)-ene-3,7-dione > (2S,4R,5R,8R,9S,10S,11R,12R)-5-ethyl-4-methoxy-9-[(2R,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-2,4,8,10,12,14-hexamethyl-11-[(2S,3R,4S,6R)-6-methyl-4-[methyl(propan-2-yl)amino]-3-oxidanyl-oxan-2-yl]oxy-6,15-dioxabicyclo[10.2.1]pentadec-1(14)-ene-3,7-dione > (2S,4R,5R,8R,9S,10S,11R,12R)-5-ethyl-11-[(2S,3R,4S,6R)-3-hydroxy-4-[isopropyl(methyl)amino]-6-methyl-tetrahydropyran-2-yl]oxy-9-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-4-methoxy-2,4,8,10,12,14-hexamethyl-6,15-dioxabicyclo[10.2.1]pentadec-1(14)-ene-3,7-quinone > InChI=1S/C40H69NO12/c1-16-28-40(12,47-15)33(43)23(6)31-21(4)18-39(11,53-31)35(52-37-30(42)27(17-22(5)48-37)41(13)20(2)3)24(7)32(25(8)36(45)50-28)51-29-19-38(10,46-14)34(44)26(9)49-29/h20,22-30,32,34-35,37,42,44H,16-19H2,1-15H3/t22-,23+,24+,25-,26+,27+,28-,29+,30-,32+,34+,35-,37+,38-,39-,40-/m1/s1 > BELMMAAWNYFCGF-PZXAHSFZSA-N > 4.1 > 755.48197664 > C40H69NO12 > 756.0 > CCC1C(C(=O)C(C2=C(CC(O2)(C(C(C(C(C(=O)O1)C)OC3CC(C(C(O3)C)O)(C)OC)C)OC4C(C(CC(O4)C)N(C)C(C)C)O)C)C)C)(C)OC > CC[C@@H]1[C@@](C(=O)[C@H](C2=C(C[C@@](O2)([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)OC)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C(C)C)O)C)C)C)(C)OC > 152 > 755.48197664 > 0 > 53 > 16 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 15 1 5 19 1 5 35 10 6 24 13 5 14 22 6 16 26 6 20 36 5 29 42 6 17 3 5 27 3 6 32 44 5 34 46 5 40 47 6 25 6 6 30 8 6 33 9 6 $$$$