CDK 0603202300 58 61 0 0 0 0 0 0 0 0999 V2000 7.7331 -2.2705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0991 -1.9045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.2705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.7295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.7295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.2295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -1.2705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5991 -4.5026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 3.2295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0991 -0.1724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.2705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.7295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.7295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 1.7295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.7705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4651 -1.5385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 3.7295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 4.7295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.2295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.2295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0991 -0.1724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5991 -4.5026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.7705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5991 -2.7705 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.2705 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -4.2705 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.2705 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8671 -0.7705 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5991 -2.7705 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5991 -0.7705 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8671 0.2295 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5991 -2.7705 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0991 -1.9045 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0991 -3.6365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0991 -3.6365 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5991 0.2295 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -0.7705 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5991 -1.0385 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 -1.2705 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4651 1.7295 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 -0.7705 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0010 0.7295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -3.2705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.2295 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 0.7295 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3312 2.2295 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5991 2.2295 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5991 -1.0385 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3312 3.2295 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4651 3.7295 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 1.7295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.7295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0991 -0.1724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0991 -3.6365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -4.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0991 -3.6365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.2705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27 1 1 1 0 0 0 29 1 1 1 0 0 0 2 29 1 0 0 0 0 33 2 1 1 0 0 0 28 3 1 1 0 0 0 37 3 1 1 0 0 0 4 31 1 0 0 0 0 4 36 1 0 0 0 0 36 5 1 1 0 0 0 40 5 1 6 0 0 0 6 37 1 0 0 0 0 6 45 1 0 0 0 0 30 7 1 6 0 0 0 35 8 1 1 0 0 0 9 47 1 0 0 0 0 9 50 1 0 0 0 0 38 10 1 6 0 0 0 41 11 1 1 0 0 0 12 42 1 0 0 0 0 44 13 1 1 0 0 0 46 14 1 1 0 0 0 15 43 2 0 0 0 0 48 16 1 1 0 0 0 49 17 1 6 0 0 0 50 18 1 1 0 0 0 19 51 1 0 0 0 0 20 52 1 0 0 0 0 21 53 1 0 0 0 0 22 54 2 0 0 0 0 23 55 2 0 0 0 0 32 24 1 6 0 0 0 24 54 1 0 0 0 0 39 25 1 6 0 0 0 25 55 1 0 0 0 0 26 43 1 0 0 0 0 26 56 1 0 0 0 0 27 28 1 0 0 0 0 27 30 1 0 0 0 0 28 31 1 0 0 0 0 29 34 1 0 0 0 0 29 43 1 0 0 0 0 30 36 1 0 0 0 0 31 42 1 1 0 0 0 32 33 1 0 0 0 0 32 35 1 0 0 0 0 33 38 1 0 0 0 0 34 35 1 0 0 0 0 37 39 1 0 0 0 0 38 48 1 0 0 0 0 39 41 1 0 0 0 0 40 46 1 0 0 0 0 40 47 1 0 0 0 0 41 44 1 0 0 0 0 44 45 1 0 0 0 0 45 51 1 1 0 0 0 46 49 1 0 0 0 0 47 52 1 1 0 0 0 48 53 1 0 0 0 0 49 50 1 0 0 0 0 54 57 1 0 0 0 0 55 58 1 0 0 0 0 M END > CHEBI:153238 > (2S,4S,5R,6R)-5-Acetamido-2-[(2R,3S,4R,5R,6S)-3-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-4-hydroxy-N-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxamide > 2 > WURCS=2.0/4,4,3/[a2122h-1b_1-5][a2112h-1b_1-5][Aad21122h-2a_2-6_1*NC_5*NCC/3=O][a2112h-1b_1-5_2*NCC/3=O]/1-2-3-4/a4-b1_b3-c2_b4-d1 > C32H55N3O23 > 849.790 > 849.32264 > 0 > O([C@H]1[C@@H](O[C@@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2NC(=O)C)CO)[C@H](O[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@@H]3CO)O)[C@@H]1O)CO)[C@]4(O[C@H]([C@H](NC(=O)C)[C@@H](O)C4)[C@H](O)[C@H](O)CO)C(=O)NC > InChI=1S/C32H55N3O23/c1-9(40)34-16-11(42)4-32(31(51)33-3,57-26(16)18(44)12(43)5-36)58-27-23(49)30(55-24-14(7-38)52-28(50)22(48)21(24)47)54-15(8-39)25(27)56-29-17(35-10(2)41)20(46)19(45)13(6-37)53-29/h11-30,36-39,42-50H,4-8H2,1-3H3,(H,33,51)(H,34,40)(H,35,41)/t11-,12+,13+,14+,15+,16+,17+,18+,19-,20+,21+,22+,23+,24+,25-,26+,27+,28+,29-,30-,32-/m0/s1 > TYABVJBQUUUSPN-RJQUWBHESA-N $$$$