CDK 0602202300 46 48 0 0 0 0 0 0 0 0999 V2000 5.5000 -0.2835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1962 -1.1495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4641 -1.1495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8660 -1.6495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1962 1.8505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -0.2835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7320 -3.1495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1962 -3.1495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4641 -4.1495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4641 -0.1495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 1.4486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9282 1.8505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3867 2.7754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1340 -2.6495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8660 -2.6495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4641 2.8505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9188 4.0610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7942 1.3505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 1.4486 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9282 -0.1495 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 0.5825 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0000 0.5825 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0000 -1.1495 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5000 -0.2835 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0000 -1.1495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1962 -0.1495 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5981 -1.6495 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3301 -1.6495 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5981 -2.6495 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3301 -2.6495 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4641 -3.1495 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0622 0.3505 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3301 0.3505 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5000 1.4486 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7320 -1.1495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3301 1.3505 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0622 1.3505 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3264 2.4334 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0000 -2.1495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4641 1.8505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0924 3.0762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 1.4486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7942 0.3505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.3146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6603 -0.1495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23 1 1 6 0 0 0 1 24 1 0 0 0 0 27 2 1 1 0 0 0 29 2 1 1 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 24 4 1 6 0 0 0 4 36 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 25 6 1 6 0 0 0 30 7 1 1 0 0 0 31 8 1 6 0 0 0 32 9 1 1 0 0 0 34 10 1 6 0 0 0 35 11 1 1 0 0 0 38 12 1 1 0 0 0 39 13 1 6 0 0 0 14 40 1 0 0 0 0 15 40 2 0 0 0 0 16 41 1 0 0 0 0 17 42 1 0 0 0 0 18 43 2 0 0 0 0 19 44 2 0 0 0 0 22 20 1 1 0 0 0 20 43 1 0 0 0 0 33 21 1 6 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 25 1 0 0 0 0 23 35 1 0 0 0 0 24 26 1 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 27 33 1 0 0 0 0 27 34 1 0 0 0 0 28 30 1 0 0 0 0 28 36 1 1 0 0 0 29 31 1 0 0 0 0 30 32 1 0 0 0 0 31 32 1 0 0 0 0 33 38 1 0 0 0 0 34 37 1 0 0 0 0 35 39 1 0 0 0 0 37 41 1 1 0 0 0 39 42 1 0 0 0 0 43 45 1 0 0 0 0 44 46 1 0 0 0 0 M END > CHEBI:152691 > (2R,4S,5R,6R)-5-Acetamido-2-[[(2R,3R,4S,5R,6R)-6-[(2R,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid > 2 > WURCS=2.0/3,3,2/[a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3/a3-b1_b6-c2; NeuAc(a2-6)Gal(b1-3)b-GlcNAc; 5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->6)-beta-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranose > C25H42N2O19 > 674.606 > 674.23818 > 0 > O1[C@H]([C@H](NC(=O)C)[C@@H](O)C[C@]1(OC[C@H]2O[C@@H](O[C@@H]3[C@@H](NC(=O)C)[C@@H](O[C@@H]([C@H]3O)CO)O)[C@H](O)[C@@H](O)[C@H]2O)C(O)=O)[C@H](O)[C@H](O)CO > InChI=1S/C25H42N2O19/c1-7(30)26-13-9(32)3-25(24(40)41,46-21(13)15(34)10(33)4-28)42-6-12-16(35)18(37)19(38)23(44-12)45-20-14(27-8(2)31)22(39)43-11(5-29)17(20)36/h9-23,28-29,32-39H,3-6H2,1-2H3,(H,26,30)(H,27,31)(H,40,41)/t9-,10+,11+,12+,13+,14+,15+,16-,17+,18-,19+,20+,21+,22+,23-,25+/m0/s1 > YCVQZAZAYAGZGC-LURNZOHQSA-N $$$$