Marvin 04150812042D 26 27 0 0 1 0 999 V2000 0.0000 2.4750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7145 2.0625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7145 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7145 1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4289 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7145 -1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4290 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 -1.6500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1434 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1434 -1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0000 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 4.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 3.3000 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 1 23 1 6 0 0 0 2 4 1 0 0 0 0 2 7 1 6 0 0 0 5 3 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 1 0 0 0 6 5 1 0 0 0 0 5 10 1 1 0 0 0 6 9 1 6 0 0 0 11 10 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 9 1 6 0 0 0 13 15 1 0 0 0 0 13 18 1 6 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 19 1 1 0 0 0 16 17 1 0 0 0 0 16 21 1 1 0 0 0 17 20 1 6 0 0 0 21 22 1 0 0 0 0 23 25 1 0 0 0 0 25 24 2 0 0 0 0 25 26 1 0 0 0 0 M END > CHEBI:2411 > 1-O-acetyl-alpha-maltose > A 1-O-acetylmaltose in which the anomeric centre at the reducing end has α-configuration. > 3 > 1-O-acetyl-4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranose > alpha-D-glucopyranosyl-(1->4)-1-O-acetyl-alpha-D-glucopyranose > C14H24O12 > 384.33316 > 384.12678 > 0 > CC(=O)O[C@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O > InChI=1S/C14H24O12/c1-4(17)23-13-11(22)9(20)12(6(3-16)25-13)26-14-10(21)8(19)7(18)5(2-15)24-14/h5-16,18-22H,2-3H2,1H3/t5-,6-,7-,8+,9-,10-,11-,12-,13+,14-/m1/s1 > QBQSGZSHVKFNMZ-SASNSOKNSA-N $$$$