CDK 0406202300 62 65 0 0 0 0 0 0 0 0999 V2000 11.1972 2.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 2.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -1.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 1.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 4.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 4.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 5.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -3.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -1.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -3.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -4.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -0.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -4.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 1.5950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0632 1.0950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0632 0.0950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3312 1.0950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1972 -0.4050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3312 3.0950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5991 3.0950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3312 4.0950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5991 4.0950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4651 4.5950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0010 -0.4050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8671 0.0950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 0.0950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8671 1.0950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1350 1.0950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.9050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3312 -1.9050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -2.9050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 -3.4050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4030 -2.9050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 -1.9050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3312 -2.9050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -1.4050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4651 -3.4050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9292 -1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -2.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -4.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -5.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29 1 1 1 0 0 0 34 1 1 6 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 33 4 1 6 0 0 0 47 4 1 1 0 0 0 39 5 1 1 0 0 0 46 5 1 6 0 0 0 6 42 1 0 0 0 0 6 43 1 0 0 0 0 42 7 1 6 0 0 0 7 44 1 0 0 0 0 30 8 1 6 0 0 0 9 46 1 0 0 0 0 9 51 1 0 0 0 0 36 10 1 6 0 0 0 37 11 1 1 0 0 0 38 12 1 6 0 0 0 40 13 1 1 0 0 0 41 14 1 6 0 0 0 15 45 1 0 0 0 0 48 16 1 1 0 0 0 49 17 1 1 0 0 0 50 18 1 6 0 0 0 52 19 1 6 0 0 0 20 53 1 0 0 0 0 54 21 1 1 0 0 0 22 57 1 0 0 0 0 23 56 2 0 0 0 0 24 58 1 0 0 0 0 25 59 1 0 0 0 0 26 61 2 0 0 0 0 31 27 1 1 0 0 0 27 56 1 0 0 0 0 55 28 1 0 0 0 0 28 61 1 0 0 0 0 29 30 1 0 0 0 0 29 32 1 0 0 0 0 30 31 1 0 0 0 0 31 33 1 0 0 0 0 32 45 1 6 0 0 0 34 36 1 0 0 0 0 35 37 1 0 0 0 0 35 44 1 6 0 0 0 36 38 1 0 0 0 0 37 38 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 40 42 1 0 0 0 0 41 43 1 0 0 0 0 43 53 1 1 0 0 0 46 48 1 0 0 0 0 47 52 1 0 0 0 0 47 54 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 57 1 1 0 0 0 52 55 1 0 0 0 0 54 58 1 0 0 0 0 55 59 1 1 0 0 0 56 60 1 0 0 0 0 61 62 1 0 0 0 0 M END > CHEBI:147949 > N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5S)-5-Acetamido-1,2,4,6-tetrahydroxyhexan-3-yl]oxy-5-[(2S,3S,4S,5S,6R)-6-[[(2S,3S,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide > 2 > WURCS=2.0/4,5,4/[h2122h_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5]/1-2-3-4-4/a4-b1_b4-c1_c6-d1_d3-e1 > C34H60N2O26 > 912.842 > 912.34343 > 0 > O([C@H]1[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]1CO)O[C@@H]([C@H](O)[C@@H](NC(=O)C)CO)[C@H](O)CO)[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@@H]2O)CO[C@H]3O[C@@H]([C@@H](O)[C@H](O[C@H]4O[C@@H]([C@@H](O)[C@H](O)[C@@H]4O)CO)[C@@H]3O)CO > InChI=1S/C34H60N2O26/c1-9(42)35-11(3-37)18(45)28(12(44)4-38)60-31-17(36-10(2)43)22(49)29(15(7-41)58-31)61-34-26(53)24(51)20(47)16(59-34)8-55-32-27(54)30(21(48)14(6-40)56-32)62-33-25(52)23(50)19(46)13(5-39)57-33/h11-34,37-41,44-54H,3-8H2,1-2H3,(H,35,42)(H,36,43)/t11-,12+,13+,14+,15+,16+,17+,18+,19+,20+,21+,22+,23-,24-,25-,26-,27-,28+,29+,30-,31-,32-,33+,34-/m0/s1 > NYLPTTOVPNEDTI-YONMKSMASA-N $$$$