CDK 1029232201 81 81 0 0 0 0 0 0 0 0999 V2000 17.1474 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1474 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8619 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.4329 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5763 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7185 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.8454 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0204 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2909 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1638 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9888 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0040 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2909 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0053 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.0040 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2895 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7198 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5751 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2895 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4343 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7198 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8606 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5751 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0040 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1487 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8606 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1461 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5751 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8632 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4316 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1461 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5777 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8606 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4316 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2922 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0027 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8606 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2882 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5902 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4152 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1448 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1448 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4303 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4303 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1448 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1448 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3339 -2.9600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6688 -2.9600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5493 -2.7050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5888 -3.7446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4138 -3.7446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2882 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3777 -1.8980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9361 -3.2571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0027 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1516 -3.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1077 -4.0640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0027 -3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5384 -3.5541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4316 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7538 -3.2992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1407 -3.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6439 -3.5963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2570 -4.1483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0417 -3.8934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6548 -4.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 6 12 1 0 0 0 0 9 13 2 0 0 0 0 9 14 1 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 14 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 17 20 1 0 0 0 0 17 21 1 0 0 0 0 18 22 1 0 0 0 0 19 23 1 0 0 0 0 19 24 1 0 0 0 0 20 25 1 0 0 0 0 22 26 2 0 0 0 0 22 27 1 0 0 0 0 23 28 1 0 0 0 0 25 29 1 0 0 0 0 27 30 1 0 0 0 0 27 31 1 0 0 0 0 29 32 1 0 0 0 0 30 33 1 0 0 0 0 31 34 1 0 0 0 0 31 35 1 0 0 0 0 32 36 1 0 0 0 0 33 37 2 0 0 0 0 33 38 1 0 0 0 0 34 39 1 0 0 0 0 38 40 1 0 0 0 0 38 41 1 0 0 0 0 38 42 1 0 0 0 0 40 43 1 0 0 0 0 43 44 2 0 0 0 0 43 45 1 0 0 0 0 45 46 1 0 0 0 0 45 47 1 0 0 0 0 46 48 1 0 0 0 0 48 49 2 0 0 0 0 48 50 1 0 0 0 0 50 51 1 0 0 0 0 50 52 1 0 0 0 0 51 53 1 0 0 0 0 52 54 1 0 0 0 0 53 55 2 0 0 0 0 53 56 1 0 0 0 0 54 57 1 0 0 0 0 54 58 1 0 0 0 0 56 59 1 0 0 0 0 56 60 1 0 0 0 0 57 61 1 0 0 0 0 59 62 1 0 0 0 0 59 63 1 0 0 0 0 60 64 1 0 0 0 0 61 65 1 0 0 0 0 61 66 1 0 0 0 0 62 67 2 0 0 0 0 62 68 1 0 0 0 0 66 69 1 0 0 0 0 68 70 1 0 0 0 0 68 71 1 0 0 0 0 69 72 2 0 0 0 0 69 73 1 0 0 0 0 70 74 1 0 0 0 0 73 75 1 0 0 0 0 74 76 1 0 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 78 79 1 0 0 0 0 79 80 1 0 0 0 0 80 81 1 0 0 0 0 63 64 1 0 0 0 0 M END > CHEBI:202816 > Roseoferin A3 > 2 > N-[6-hydroxy-1-[[1-[[1-[[1-[[1-[[1-[[1-[1-(2-hydroxyethylamino)propan-2-ylamino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1,8-dioxodecan-2-yl]-1-(2-methyldecanoyl)pyrrolidine-2-carboxamide > C59H108N10O12 > 1149.571 > 1148.81482 > 0 > O=C(NC(C(=O)NC(CNCCO)C)(C)C)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1N(C(=O)C(CCCCCCCC)C)CCC1)CC(CC(O)CC(=O)CC)C)C)(C)C)C(CC)C)C(CC)C)(C)C > InChI=1S/C59H108N10O12/c1-17-21-22-23-24-25-27-39(8)53(78)69-30-26-28-45(69)50(75)63-44(33-36(5)32-43(72)34-42(71)20-4)49(74)62-41(10)48(73)66-57(11,12)55(80)65-46(37(6)18-2)51(76)64-47(38(7)19-3)52(77)67-59(15,16)56(81)68-58(13,14)54(79)61-40(9)35-60-29-31-70/h36-41,43-47,60,70,72H,17-35H2,1-16H3,(H,61,79)(H,62,74)(H,63,75)(H,64,76)(H,65,80)(H,66,73)(H,67,77)(H,68,81) > NZZGMDXAMVHVKY-UHFFFAOYSA-N $$$$