CDK 0605202300 105113 0 0 0 0 0 0 0 0999 V2000 7.1678 4.0221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.3164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4382 5.3805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1223 3.5012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.6836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -5.1836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.8164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -4.1836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.1836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1114 6.4939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7238 7.2599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -5.1836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9883 5.0012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.3164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -7.1836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2331 -3.3176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.3164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5706 9.0108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4838 5.9015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0701 9.1393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4230 8.9657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8543 2.5012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -8.1836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -8.6836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -7.1836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.6836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5864 3.5012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7331 -5.9157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5864 5.5012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7331 -5.9157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7331 -4.1836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6934 7.6072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4425 8.5469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4643 2.5615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3774 9.4866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -8.1836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -4.1836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0919 11.0187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -10.1836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -11.1836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.6836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 3.3164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8367 1.9691 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.1836 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.3164 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1374 3.6748 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7954 4.6145 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4947 2.9088 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5098 3.0824 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8106 4.7881 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 1.8164 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8671 -3.6836 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -4.1836 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8671 -2.6836 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0010 0.8164 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1350 2.3164 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1350 0.3164 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -2.1836 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -3.6836 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0962 6.3202 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7390 7.0863 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 1.8164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.6836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9883 4.0012 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1350 -5.6836 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3970 8.0260 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4686 5.7278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -6.6836 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4122 8.1996 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7694 7.4336 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8543 3.5012 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 -7.1836 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7331 -4.1836 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4030 -6.6836 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 -4.1836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7203 4.0012 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 -5.6836 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2331 -5.0497 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7203 5.0012 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8543 5.5012 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2331 -5.0497 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0658 8.1996 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7331 -4.1836 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2331 -3.3176 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0010 -8.1836 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8215 1.7954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0506 8.3733 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7846 7.6072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3926 9.3130 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8671 -8.6836 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5369 -5.1836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7498 10.0790 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7650 9.9054 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8671 -9.6836 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 -1.1836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8543 6.5012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.8164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -10.1836 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -9.6836 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7331 -2.4516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1635 0.8557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1223 10.6714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.6836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 4.8164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -10.1836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 49 1 0 0 0 0 1 50 1 0 0 0 0 49 2 1 6 0 0 0 51 2 1 1 0 0 0 47 3 1 1 0 0 0 60 3 1 6 0 0 0 46 4 1 6 0 0 0 64 4 1 6 0 0 0 5 58 1 0 0 0 0 5 59 1 0 0 0 0 53 6 1 6 0 0 0 65 6 1 1 0 0 0 7 57 1 0 0 0 0 7 62 1 0 0 0 0 52 8 1 1 0 0 0 73 8 1 6 0 0 0 58 9 1 1 0 0 0 9 63 1 0 0 0 0 10 60 1 0 0 0 0 10 70 1 0 0 0 0 61 11 1 1 0 0 0 82 11 1 6 0 0 0 12 65 1 0 0 0 0 12 77 1 0 0 0 0 13 64 1 0 0 0 0 13 80 1 0 0 0 0 55 14 1 1 0 0 0 68 15 1 6 0 0 0 85 15 1 1 0 0 0 16 73 1 0 0 0 0 16 84 1 0 0 0 0 17 62 1 0 0 0 0 66 18 1 6 0 0 0 19 67 1 0 0 0 0 69 20 1 6 0 0 0 21 82 1 0 0 0 0 21 93 1 0 0 0 0 71 22 1 6 0 0 0 72 23 1 1 0 0 0 24 85 1 0 0 0 0 24 99 1 0 0 0 0 74 25 1 1 0 0 0 26 75 1 0 0 0 0 76 27 1 1 0 0 0 78 28 1 6 0 0 0 79 29 1 1 0 0 0 81 30 1 1 0 0 0 83 31 1 1 0 0 0 87 32 1 6 0 0 0 33 88 1 0 0 0 0 34 86 2 0 0 0 0 89 35 1 1 0 0 0 90 36 1 1 0 0 0 37 91 1 0 0 0 0 92 38 1 1 0 0 0 94 39 1 6 0 0 0 98 40 1 6 0 0 0 41 95 2 0 0 0 0 42 97 2 0 0 0 0 48 43 1 1 0 0 0 43 86 1 0 0 0 0 54 44 1 6 0 0 0 44 95 1 0 0 0 0 56 45 1 6 0 0 0 45 97 1 0 0 0 0 46 47 1 0 0 0 0 46 48 1 0 0 0 0 47 50 1 0 0 0 0 48 49 1 0 0 0 0 50 67 1 6 0 0 0 51 55 1 0 0 0 0 51 56 1 0 0 0 0 52 53 1 0 0 0 0 52 54 1 0 0 0 0 53 59 1 0 0 0 0 54 58 1 0 0 0 0 55 57 1 0 0 0 0 56 62 1 0 0 0 0 57 63 1 1 0 0 0 59 75 1 1 0 0 0 60 61 1 0 0 0 0 61 66 1 0 0 0 0 64 71 1 0 0 0 0 65 68 1 0 0 0 0 66 69 1 0 0 0 0 68 72 1 0 0 0 0 69 70 1 0 0 0 0 70 88 1 6 0 0 0 71 76 1 0 0 0 0 72 74 1 0 0 0 0 73 78 1 0 0 0 0 74 77 1 0 0 0 0 76 79 1 0 0 0 0 77 91 1 1 0 0 0 78 81 1 0 0 0 0 79 80 1 0 0 0 0 80 96 1 1 0 0 0 81 83 1 0 0 0 0 82 87 1 0 0 0 0 83 84 1 0 0 0 0 84100 1 1 0 0 0 85 90 1 0 0 0 0 86101 1 0 0 0 0 87 89 1 0 0 0 0 89 92 1 0 0 0 0 90 94 1 0 0 0 0 92 93 1 0 0 0 0 93102 1 1 0 0 0 94 98 1 0 0 0 0 95103 1 0 0 0 0 97104 1 0 0 0 0 98 99 1 0 0 0 0 99105 1 6 0 0 0 M END > CHEBI:153664 > N-[(3R,4R,5R,6R)-4-[(2R,3R,4R,5S,6R)-3-Acetamido-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-[[(2R,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-2,5-dihydroxyoxan-3-yl]acetamide > 2 > WURCS=2.0/4,9,8/[a2112h-1x_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5][a2112h-1b_1-5]/1-2-3-4-3-2-3-4-3/a3-b1_a6-f1_b3-c1_b4-d1_d2-e1_f3-g1_f4-h1_h2-i1; Fuc(a1-2)Gal(b1-4)[Fuc(a1-3)]GlcNAc(b1-3)[Fuc(a1-2)Gal(b1-4)[Fuc(a1-3)]GlcNAc(b1-6)]GalNAc; 6-deoxy-alpha-L-galacto-hexopyranosyl-(1->2)-beta-D-galacto-hexopyranosyl-(1->4)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->2)-beta-D-galacto-hexopyranosyl-(1->4)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)]-2-acetamido-2-deoxy-D-galacto-hexopyranose > C60H101N3O42 > 1536.447 > 1535.58596 > 0 > O1[C@@H](O[C@H]2[C@@H](O)[C@H](OC(O)[C@@H]2NC(=O)C)CO[C@@H]3O[C@@H]([C@@H](O[C@@H]4O[C@@H]([C@H](O)[C@H](O)[C@H]4O[C@@H]5O[C@H]([C@@H](O)[C@@H](O)[C@@H]5O)C)CO)[C@H](O[C@@H]6O[C@H]([C@@H](O)[C@@H](O)[C@@H]6O)C)[C@H]3NC(=O)C)CO)[C@H](NC(=O)C)[C@@H](O[C@@H]7O[C@H]([C@@H](O)[C@@H](O)[C@@H]7O)C)[C@H](O[C@@H]8O[C@@H]([C@H](O)[C@H](O)[C@H]8O[C@@H]9O[C@H]([C@@H](O)[C@@H](O)[C@@H]9O)C)CO)[C@H]1CO > InChI=1S/C60H101N3O42/c1-13-28(71)35(78)41(84)55(90-13)102-48-26(62-18(6)69)53(97-22(10-66)45(48)99-59-50(39(82)32(75)20(8-64)95-59)104-57-43(86)37(80)30(73)15(3)92-57)89-12-24-34(77)47(25(52(88)94-24)61-17(5)68)101-54-27(63-19(7)70)49(103-56-42(85)36(79)29(72)14(2)91-56)46(23(11-67)98-54)100-60-51(40(83)33(76)21(9-65)96-60)105-58-44(87)38(81)31(74)16(4)93-58/h13-16,20-60,64-67,71-88H,8-12H2,1-7H3,(H,61,68)(H,62,69)(H,63,70)/t13-,14-,15-,16-,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-,45+,46+,47+,48+,49+,50+,51+,52?,53+,54-,55-,56-,57-,58-,59-,60-/m0/s1 > JKJNIGWRRMSFSS-DCRNUKTGSA-N $$$$