Ketcher 04072018112D 1 1.00000 0.00000 0 45 47 0 1 0 999 V2000 4.7878 -9.8313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9217 -8.3313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5198 -7.8313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2518 -7.8313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5198 -10.8313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2518 -9.8313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0557 -10.8313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3237 -9.8314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3236 -7.8314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7878 -6.8313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1178 -5.3313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3859 -5.3312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9839 -7.8313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6538 -6.3312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8499 -5.3312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6538 -9.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5198 -9.8313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6538 -8.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9217 -9.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3859 -9.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0557 -9.8313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0556 -7.8313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1897 -9.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1897 -8.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3859 -8.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0556 -6.8314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7878 -7.8313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2518 -6.8313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1178 -6.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3859 -6.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9839 -6.8313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5199 -6.8313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8499 -6.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9216 -6.3314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7876 -4.8314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1895 -5.3314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1894 -3.3314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9215 -2.3314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5196 -3.8313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9216 -5.3314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0555 -4.8314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0555 -3.8314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9215 -3.3314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7875 -3.8314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6536 -3.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16 1 1 1 0 0 19 1 1 1 0 0 2 19 1 0 0 0 2 22 1 0 0 0 3 18 1 0 0 0 3 25 1 0 0 0 25 4 1 1 0 0 28 4 1 1 0 0 17 5 1 1 0 0 20 6 1 6 0 0 21 7 1 6 0 0 23 8 1 1 0 0 24 9 1 1 0 0 10 27 1 0 0 0 29 11 1 1 0 0 30 12 1 6 0 0 31 13 1 6 0 0 14 32 1 0 0 0 15 33 1 0 0 0 16 17 1 0 0 0 16 18 1 0 0 0 17 20 1 0 0 0 18 27 1 1 0 0 19 21 1 0 0 0 20 25 1 0 0 0 21 23 1 0 0 0 22 24 1 0 0 0 22 26 1 1 0 0 23 24 1 0 0 0 28 29 1 0 0 0 28 30 1 0 0 0 29 31 1 0 0 0 30 32 1 0 0 0 31 33 1 0 0 0 26 34 1 0 0 0 40 34 1 1 0 0 35 40 1 0 0 0 35 44 1 0 0 0 41 36 1 6 0 0 42 37 1 1 0 0 43 38 1 1 0 0 39 45 1 0 0 0 40 41 1 0 0 0 41 42 1 0 0 0 42 43 1 0 0 0 43 44 1 0 0 0 44 45 1 1 0 0 M END > CHEBI:146667 > beta-D-Galp-(1->6)-beta-D-Galp-(1->4)-beta-D-Galp-(1->3)-L-Man-OH > A tetrasaccharide consisting of three β-D-galactopyranosyl residues and an L-mannitol group joined in sequence by (1→6), (1→4) and (1→3) glycosidic linkages. > 3 > WURCS=2.0/2,4,3/[h2211h][a2112h-1b_1-5]/1-2-2-2/a4-b1_b4-c1_c6-d1; (2S,3S,4S,5S)-4-[(2S,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxyhexane-1,2,3,5,6-pentol > beta-D-galactopyranosyl-(1->6)-beta-D-galactopyranosyl-(1->4)-beta-D-galactopyranosyl-(1->3)-L-mannitol > C24H44O21 > 668.595 > 668.23751 > 0 > O([C@@H]1[C@H](O)[C@@H](O)[C@@H](O[C@@H]1CO)O[C@H]([C@@H](O)[C@@H](O)CO)[C@@H](O)CO)[C@@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)CO[C@@H]3O[C@@H]([C@H](O)[C@H](O)[C@H]3O)CO > InChI=1S/C24H44O21/c25-1-6(29)11(31)20(7(30)2-26)44-24-19(39)16(36)21(9(4-28)42-24)45-23-18(38)15(35)13(33)10(43-23)5-40-22-17(37)14(34)12(32)8(3-27)41-22/h6-39H,1-5H2/t6-,7-,8+,9+,10+,11-,12-,13-,14-,15-,16+,17+,18+,19+,20-,21-,22+,23-,24-/m0/s1 > NORMWIRAFLQCGW-LXEZHMTHSA-N $$$$