Marvin 05171117262D 77 82 0 0 1 0 999 V2000 15.0592 -3.5734 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0592 -4.3984 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3447 -3.1609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3447 -4.8109 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.6302 -3.5734 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6302 -4.3984 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7737 -3.1609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7737 -4.8109 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3447 -5.6359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9158 -4.8109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9158 -3.1609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2013 -3.5734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7767 -5.6408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4926 -6.0508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0637 -6.0559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2013 -5.2234 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2013 -6.0484 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4868 -4.8109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4868 -6.4609 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7724 -5.2234 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7724 -6.0484 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9158 -6.4609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4868 -7.2859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0579 -6.4609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0579 -4.8109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3434 -5.2234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7723 -7.6984 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7723 -8.5234 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0578 -7.2859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0578 -8.9359 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3433 -7.6984 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3433 -8.5234 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4868 -8.9359 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0578 -9.7609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6289 -8.9359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6289 -7.2859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9144 -7.6984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4854 -11.8234 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4854 -12.6484 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7709 -11.4109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7709 -13.0609 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0564 -11.8234 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0564 -12.6484 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1999 -11.4109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1999 -13.0609 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7709 -13.8859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3420 -13.0609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3420 -11.4109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6275 -11.8234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2029 -13.8908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9188 -14.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4899 -14.3059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6275 -13.4734 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6275 -14.2984 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9130 -13.0609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9130 -14.7109 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1986 -13.4734 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1986 -14.2984 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3420 -14.7109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9130 -15.5359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4841 -14.7109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4841 -13.0609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7696 -13.4734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9144 -9.3484 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9144 -10.1734 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1999 -8.9359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1999 -10.5859 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4855 -9.3484 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4855 -10.1734 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6289 -10.5859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7710 -10.5859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7710 -8.9359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0565 -9.3484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4898 -9.7658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2057 -10.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7768 -10.1809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4901 -3.5783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 6 1 0 0 0 0 1 7 1 1 0 0 0 2 8 1 6 0 0 0 4 9 1 1 0 0 0 6 10 1 6 0 0 0 5 11 1 1 0 0 0 12 11 1 0 0 0 0 8 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 20 21 1 0 0 0 0 16 10 1 1 0 0 0 17 22 1 6 0 0 0 19 23 1 1 0 0 0 21 24 1 1 0 0 0 20 25 1 1 0 0 0 26 25 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 28 30 1 0 0 0 0 29 31 1 0 0 0 0 30 32 1 0 0 0 0 31 32 1 0 0 0 0 27 23 1 1 0 0 0 28 33 1 6 0 0 0 30 34 1 1 0 0 0 32 35 1 6 0 0 0 31 36 1 1 0 0 0 37 36 1 0 0 0 0 38 39 1 0 0 0 0 38 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 42 43 1 0 0 0 0 38 44 1 1 0 0 0 39 45 1 6 0 0 0 41 46 1 1 0 0 0 43 47 1 6 0 0 0 42 48 1 1 0 0 0 49 48 1 0 0 0 0 45 50 1 0 0 0 0 50 51 1 0 0 0 0 50 52 2 0 0 0 0 53 54 1 0 0 0 0 53 55 1 0 0 0 0 54 56 1 0 0 0 0 55 57 1 0 0 0 0 56 58 1 0 0 0 0 57 58 1 0 0 0 0 53 47 1 1 0 0 0 54 59 1 6 0 0 0 56 60 1 1 0 0 0 58 61 1 1 0 0 0 57 62 1 1 0 0 0 63 62 1 0 0 0 0 64 65 1 0 0 0 0 64 66 1 0 0 0 0 65 67 1 0 0 0 0 66 68 1 0 0 0 0 67 69 1 0 0 0 0 68 69 1 0 0 0 0 64 35 1 1 0 0 0 65 70 1 6 0 0 0 67 44 1 1 0 0 0 69 71 1 1 0 0 0 68 72 1 1 0 0 0 73 72 1 0 0 0 0 33 74 1 0 0 0 0 74 75 1 0 0 0 0 74 76 2 0 0 0 0 7 77 1 0 0 0 0 M END > CHEBI:62136 > beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc-OMe > A methyl glycoside derived from a hexasaccharide consisting of three units N-acetyllactosamine coupled in a linear sequence by β-(1→3') linkages. > 3 > methyl beta-D-galactopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranoside; Gal-beta1,4-GlcNAc-beta1,3Gal-beta1,4GlcNAc-beta1,3-Gal-beta1,4GlcNAc-beta1-O-Me; beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-OMe > methyl beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranoside > C43H73N3O31 > 1128.04120 > 1127.42280 > 0 > CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5NC(C)=O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)[C@H](O)[C@H]1NC(C)=O > InChI=1S/C43H73N3O31/c1-11(53)44-20-26(59)33(17(8-50)70-38(20)66-4)74-42-31(64)36(24(57)15(6-48)68-42)77-40-22(46-13(3)55)28(61)35(19(10-52)72-40)75-43-32(65)37(25(58)16(7-49)69-43)76-39-21(45-12(2)54)27(60)34(18(9-51)71-39)73-41-30(63)29(62)23(56)14(5-47)67-41/h14-43,47-52,56-65H,5-10H2,1-4H3,(H,44,53)(H,45,54)(H,46,55)/t14-,15-,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+/m1/s1 > WCFHRGBAIRKQMX-BEAGYCNWSA-N > 4289455 > 6083447 $$$$