CDK 0605202311 88 93 0 0 0 0 0 0 0 0999 V2000 10.8302 -1.1544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3301 1.4437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8301 2.3096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8301 -4.6186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3301 -2.0205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3301 -6.4846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 1.4436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.4436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8301 -1.1544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8301 5.3097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5622 5.3097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8302 -4.6186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8302 -2.8865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3302 -6.4846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5622 3.3096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0981 3.3096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.9436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8302 -9.0827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6962 7.8096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 -2.0204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.5563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0981 -5.6186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8302 -7.3507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0981 6.3097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2942 6.3097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9641 -4.1184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.1757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5981 -1.5563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2942 8.3096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8301 2.3096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8302 -1.1544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5622 9.3096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8302 -9.0827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9641 6.8096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8302 -7.3506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.0563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.4436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8302 0.5776 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3302 -8.2166 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.0564 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3301 -0.2884 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8302 0.5776 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3301 -0.2884 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3301 1.4436 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8301 0.5777 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3301 -3.7525 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3301 -2.0205 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3302 -3.7525 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8302 -2.8865 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8301 3.3096 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8301 -2.8865 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8301 -5.6186 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8302 -7.3506 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8302 -7.3506 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8302 -5.6186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3302 -6.4846 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8301 0.5777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6962 3.8096 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9641 3.8096 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3301 1.4436 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 0.4436 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4641 -0.0564 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6962 4.8097 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9641 4.8097 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4641 1.9436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.4436 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3302 -8.2166 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8301 -2.8865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4640 -1.0563 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5622 6.3097 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9641 -5.1186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 -8.2166 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0981 5.3097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4282 6.8096 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6962 6.8096 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8301 2.3096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3302 -0.2884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5980 -1.5563 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4282 7.8096 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5622 8.3096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8301 -9.0827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3302 -8.2166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8301 6.3097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5980 -2.5563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3301 -0.2884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.4436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8302 -9.0827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41 1 1 1 0 0 0 47 1 1 1 0 0 0 2 44 1 0 0 0 0 2 45 1 0 0 0 0 44 3 1 1 0 0 0 50 3 1 1 0 0 0 46 4 1 1 0 0 0 52 4 1 6 0 0 0 5 47 1 0 0 0 0 5 51 1 0 0 0 0 6 52 1 0 0 0 0 54 6 1 6 0 0 0 7 57 1 0 0 0 0 60 7 1 1 0 0 0 8 60 1 0 0 0 0 62 8 1 1 0 0 0 43 9 1 6 0 0 0 10 63 1 0 0 0 0 10 64 1 0 0 0 0 63 11 1 1 0 0 0 70 11 1 6 0 0 0 48 12 1 1 0 0 0 49 13 1 6 0 0 0 56 14 1 6 0 0 0 58 15 1 6 0 0 0 59 16 1 1 0 0 0 66 17 1 1 0 0 0 67 18 1 6 0 0 0 19 75 1 0 0 0 0 19 80 1 0 0 0 0 20 68 1 0 0 0 0 69 21 1 6 0 0 0 22 71 1 0 0 0 0 72 23 1 1 0 0 0 24 73 1 0 0 0 0 74 25 1 1 0 0 0 26 71 2 0 0 0 0 27 76 1 0 0 0 0 78 28 1 1 0 0 0 79 29 1 6 0 0 0 30 76 2 0 0 0 0 31 77 2 0 0 0 0 32 80 1 0 0 0 0 33 81 1 0 0 0 0 34 83 1 0 0 0 0 35 82 2 0 0 0 0 36 84 1 0 0 0 0 37 86 2 0 0 0 0 42 38 1 6 0 0 0 38 77 1 0 0 0 0 53 39 1 1 0 0 0 39 82 1 0 0 0 0 61 40 1 6 0 0 0 40 86 1 0 0 0 0 41 42 1 0 0 0 0 41 43 1 0 0 0 0 42 44 1 0 0 0 0 43 45 1 0 0 0 0 45 57 1 1 0 0 0 46 48 1 0 0 0 0 46 51 1 0 0 0 0 47 49 1 0 0 0 0 48 49 1 0 0 0 0 50 58 1 0 0 0 0 50 59 1 0 0 0 0 51 68 1 1 0 0 0 52 55 1 0 0 0 0 52 71 1 0 0 0 0 53 54 1 0 0 0 0 53 56 1 0 0 0 0 54 67 1 0 0 0 0 55 56 1 0 0 0 0 58 63 1 0 0 0 0 59 64 1 0 0 0 0 60 65 1 0 0 0 0 60 76 1 0 0 0 0 61 62 1 0 0 0 0 61 66 1 0 0 0 0 62 69 1 0 0 0 0 64 73 1 1 0 0 0 65 66 1 0 0 0 0 67 72 1 0 0 0 0 69 78 1 0 0 0 0 70 74 1 0 0 0 0 70 75 1 0 0 0 0 72 81 1 0 0 0 0 74 79 1 0 0 0 0 75 83 1 1 0 0 0 77 85 1 0 0 0 0 78 84 1 0 0 0 0 79 80 1 0 0 0 0 82 87 1 0 0 0 0 86 88 1 0 0 0 0 M END > CHEBI:154394 > (2R,4S,5R,6R)-5-Acetamido-2-[[(2R,3S,4R,5R,6S)-5-acetamido-4-[(2R,3R,4R,5R,6R)-5-[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-3-hydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid > 2 > WURCS=2.0/4,6,5/[a2122h-1x_1-5][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3-2-4-4/a4-b1_b3-c1_c3-d1_c6-f2_d4-e2; NeuAc(a2-4)Gal(b1-3)[NeuAc(a2-6)]GlcNAc(b1-3)Gal(b1-4)Glc; 5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->4)-beta-D-galacto-hexopyranosyl-(1->3)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->6)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-D-gluco-hexopyranose > C48H79N3O37 > 1290.144 > 1289.43924 > 0 > O([C@@H]1[C@@H](NC(=O)C)[C@@H](O[C@@H]([C@H]1O)CO[C@]2(O[C@H]([C@H](NC(=O)C)[C@@H](O)C2)[C@H](O)[C@H](O)CO)C(O)=O)O[C@@H]3[C@@H](O)[C@@H](O[C@@H]([C@@H]3O)CO)O[C@H]4[C@H](O)[C@@H](O)C(O[C@@H]4CO)O)[C@@H]5O[C@@H]([C@H](O[C@]6(O[C@H]([C@H](NC(=O)C)[C@@H](O)C6)[C@H](O)[C@H](O)CO)C(O)=O)[C@H](O)[C@H]5O)CO > InChI=1S/C48H79N3O37/c1-12(57)49-23-15(60)4-47(45(74)75,87-38(23)26(64)17(62)6-52)78-11-22-29(67)37(25(51-14(3)59)42(82-22)85-40-28(66)19(8-54)80-44(34(40)72)83-35-20(9-55)79-41(73)32(70)30(35)68)84-43-33(71)31(69)36(21(10-56)81-43)86-48(46(76)77)5-16(61)24(50-13(2)58)39(88-48)27(65)18(63)7-53/h15-44,52-56,60-73H,4-11H2,1-3H3,(H,49,57)(H,50,58)(H,51,59)(H,74,75)(H,76,77)/t15-,16-,17+,18+,19+,20+,21+,22+,23+,24+,25+,26+,27+,28-,29+,30+,31+,32+,33+,34+,35+,36-,37+,38+,39+,40-,41?,42-,43-,44-,47+,48+/m0/s1 > FAOCZRQZRJYTML-SGEMABNVSA-N $$$$