Marvin 01281312142D 44 46 0 0 1 0 999 V2000 9.1630 -13.3021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3007 -13.7110 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6134 -13.2987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3007 -14.5356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3442 -12.6281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8989 -13.7110 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6134 -14.9479 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0700 -12.2133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8989 -14.5356 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6134 -15.7176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1843 -13.2712 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4480 -13.6429 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7210 -13.1786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9604 -13.5625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2425 -12.4105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3774 -14.4790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1843 -14.9479 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1843 -15.7725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4421 -16.1849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8989 -16.1849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5548 -12.0518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8905 -12.8262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0209 -13.3021 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0209 -14.1271 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3063 -12.8896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3063 -14.5396 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5919 -13.3021 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5919 -14.1271 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7353 -12.8896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7353 -14.5396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3063 -15.3646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8774 -14.5396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8774 -12.8896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8788 -11.6521 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8788 -12.4771 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1643 -11.2396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1643 -12.8896 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4498 -11.6521 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4498 -12.4771 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5932 -11.2396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5932 -12.8896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1643 -13.7146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7353 -11.2396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0209 -11.6521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 1 1 6 0 0 0 2 4 1 0 0 0 0 2 5 1 1 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 1 0 0 0 0 7 10 1 6 0 0 0 7 9 1 0 0 0 0 6 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 11 15 1 1 0 0 0 12 16 1 6 0 0 0 9 17 1 1 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 5 21 2 0 0 0 0 6 22 1 1 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 27 28 1 0 0 0 0 23 29 1 1 0 0 0 24 30 1 6 0 0 0 26 31 1 1 0 0 0 28 32 1 1 0 0 0 27 33 1 1 0 0 0 1 33 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 35 37 1 0 0 0 0 36 38 1 0 0 0 0 37 39 1 0 0 0 0 38 39 1 0 0 0 0 34 40 1 1 0 0 0 35 41 1 6 0 0 0 37 42 1 1 0 0 0 39 29 1 6 0 0 0 38 43 1 1 0 0 0 44 43 1 0 0 0 0 M END > CHEBI:71943 > alpha-Neup5Ac-(2->6)-beta-D-Galp-(1->4)-beta-D-Glcp > An amino trisaccharide consisting of sialyl, β-D-galactosyl and β-D-glucose residues connected sequentially by (2→6) and (1→4) linkages. > 3 > Neu5NAcalpha2->6lactose; Neu5Acalpha2-6Galbeta1-4Glcbeta; alpha-Neu5Ac-(2->6)-beta-D-Gal-(1->4)-beta-D-Glc; alpha-D-N-acetylneuraminyl-(2->6)-beta-D-galactosyl-(1->4)-beta-D-glucose; 6'-SL; 6'-sialyllactose > 5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->6)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranose > C23H39NO19 > 633.55110 > 633.21163 > 0 > [H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O)C(O)=O)[C@H](O)[C@H](O)CO > InChI=1S/C23H39NO19/c1-6(27)24-11-7(28)2-23(22(37)38,43-19(11)12(30)8(29)3-25)39-5-10-13(31)14(32)17(35)21(41-10)42-18-9(4-26)40-20(36)16(34)15(18)33/h7-21,25-26,28-36H,2-5H2,1H3,(H,24,27)(H,37,38)/t7-,8+,9+,10+,11+,12+,13-,14-,15+,16+,17+,18+,19+,20+,21-,23+/m0/s1 > TYALNJQZQRNQNQ-JLYOMPFMSA-N > 16465690; 19443021; 31537530 $$$$