CDK 1030232203 77 78 0 0 0 0 0 0 0 0999 V2000 9.8399 -1.8904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3571 -1.2476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7648 -0.6734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0448 -1.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.8045 -2.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6545 -2.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9433 0.7495 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5737 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6105 -2.2014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7421 1.5496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1652 0.4753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -1.2375 0.0000 C 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 13.4350 -2.2268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6913 2.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2503 -2.1003 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7927 3.1918 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 15.0284 -1.8261 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.4515 -2.9004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0427 3.9779 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 15.3732 -2.5756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7428 -1.4136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4331 4.7047 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2830 4.2995 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 16.3693 -0.8768 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7453 5.1605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9503 5.3475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9617 -1.4512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8866 -0.2341 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5768 5.8842 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4302 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2769 0.4927 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5743 -0.6898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1001 6.5576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2913 6.2967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0367 0.1712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5270 1.2789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0693 6.5710 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7158 -6.1875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.6284 2.0976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8681 7.3710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8846 6.6975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5775 2.9211 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4604 7.9453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7092 6.6721 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2869 -6.1875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -7.4250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3763 3.7212 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.3928 3.0476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2540 7.7196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2592 8.7454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8106 7.4908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5151 6.4956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2869 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2869 -7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1545 3.9954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0316 4.4707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8514 9.3198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4603 6.2339 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.5736 5.3380 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.6450 9.0940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6502 10.1199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7583 5.4646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9775 6.8765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3948 5.2590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0908 5.9808 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.7928 6.7501 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.9061 5.8542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3100 7.3927 0.0000 O 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 5 3 1 1 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 8 5 1 0 0 0 0 9 5 1 0 0 0 0 6 10 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 1 0 0 0 9 13 1 0 0 0 0 9 14 1 6 0 0 0 10 15 2 0 0 0 0 11 16 2 0 0 0 0 13 17 1 0 0 0 0 18 15 1 0 0 0 0 16 19 1 0 0 0 0 17 20 1 0 0 0 0 21 18 1 0 0 0 0 18 22 1 6 0 0 0 19 23 2 0 0 0 0 20 24 1 0 0 0 0 21 25 1 1 0 0 0 21 26 1 0 0 0 0 27 23 1 0 0 0 0 23 28 1 0 0 0 0 24 29 2 0 0 0 0 30 26 1 0 0 0 0 27 31 1 6 0 0 0 27 32 1 0 0 0 0 29 33 1 0 0 0 0 30 34 1 1 0 0 0 35 30 1 0 0 0 0 36 32 1 0 0 0 0 33 37 1 0 0 0 0 38 35 1 0 0 0 0 35 39 1 6 0 0 0 36 40 1 6 0 0 0 36 41 1 0 0 0 0 37 42 1 0 0 0 0 38 43 1 6 0 0 0 38 44 1 0 0 0 0 45 41 1 0 0 0 0 42 46 1 0 0 0 0 44 47 1 0 0 0 0 45 48 1 1 0 0 0 45 49 1 0 0 0 0 46 50 1 0 0 0 0 51 47 1 0 0 0 0 48 52 1 0 0 0 0 53 49 1 0 0 0 0 50 54 2 3 0 0 0 50 55 1 0 0 0 0 56 51 1 0 0 0 0 51 57 1 1 0 0 0 52 58 2 0 0 0 0 52 59 1 0 0 0 0 53 60 1 1 0 0 0 53 61 1 0 0 0 0 54 62 1 0 0 0 0 55 63 1 0 0 0 0 56 64 1 1 0 0 0 56 65 1 0 0 0 0 59 66 1 0 0 0 0 67 61 1 0 0 0 0 68 65 1 0 0 0 0 66 69 2 0 0 0 0 66 70 1 0 0 0 0 67 71 1 1 0 0 0 67 72 1 0 0 0 0 68 73 1 6 0 0 0 74 68 1 0 0 0 0 75 72 1 0 0 0 0 74 76 1 6 0 0 0 75 77 1 1 0 0 0 68 71 1 0 0 0 0 74 75 1 0 0 0 0 M END > CHEBI:225278 > Azalomycin F5 > 2 > 3-[[(1S,3S,5R,7S,9R,10E,12E,14S,15S,18Z,20E,22R,23R,25S,26S,27S,30S,31R,33R,34S,35R)-15-[(E,2S)-10-[(N,N'-dimethylcarbamimidoyl)amino]dec-6-en-2-yl]-3,7,9,23,25,27,31,33,34,35-decahydroxy-10,14,18,22,26,30-hexamethyl-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,18,20-tetraen-5-yl]oxy]-3-oxopropanoic acid > C57H97N3O17 > 1096.407 > 1095.68180 > 0 > O=C1O[C@H]([C@H](C=CC=C([C@H](O)C[C@H](O)C[C@@H](OC(=O)CC(=O)O)C[C@@H](O)C[C@@H]2O[C@@](C[C@H]([C@H](CC[C@@H]([C@@H]([C@H](C[C@H]([C@@H](C=CC=C1C)C)O)O)C)O)C)O)(O)[C@@H](O)[C@@H](C2)O)C)C)[C@H](CCC/C=C/CCCNC(=NC)NC)C > InChI=1S/C57H97N3O17/c1-34-19-16-21-38(5)53(37(4)18-14-12-10-11-13-15-25-60-56(58-8)59-9)76-55(73)39(6)22-17-20-35(2)47(65)31-48(66)40(7)45(63)24-23-36(3)50(68)33-57(74)54(72)49(67)30-44(77-57)28-41(61)26-43(27-42(62)29-46(34)64)75-52(71)32-51(69)70/h10-11,16-17,19-22,35-38,40-50,53-54,61-68,72,74H,12-15,18,23-33H2,1-9H3,(H,69,70)(H2,58,59,60)/b11-10+,20-17-,21-16-,34-19-,39-22-/t35-,36+,37+,38+,40+,41-,42-,43+,44+,45+,46-,47-,48+,49-,50-,53+,54+,57-/m1/s1 > ULHJRSBSTUGEPH-VGGXQRNASA-N $$$$