Marvin 10071010492D 52 54 0 0 1 0 999 V2000 16.3693 -3.5423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6548 -3.9548 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.3704 -4.7803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6558 -3.5428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6560 -5.1928 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6560 -6.0178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9414 -4.7803 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.3704 -3.9553 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.9414 -3.9553 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.0837 -3.9548 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.0837 -4.7798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3693 -5.1923 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6548 -4.7798 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2271 -3.5428 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2271 -5.1928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5124 -3.9549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2274 -2.7177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0837 -3.1298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7982 -3.5423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3693 -2.7173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7982 -2.7173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0850 -3.5428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6560 -2.7177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3705 -3.1303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0850 -2.7178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2271 -4.3678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9404 -3.5421 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3692 -6.0173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9403 -5.1921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6548 -3.1298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5115 -3.5423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2260 -3.9546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9404 -2.7171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7994 -4.7803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2283 -4.7803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7994 -3.9553 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.5138 -3.5428 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.5138 -5.1928 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 24.2283 -3.9553 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.9428 -3.5430 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5138 -2.7179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.6572 -3.9555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9428 -2.7181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.3716 -3.5431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5137 -6.0179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.9427 -5.1930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2282 -5.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2281 -6.4305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2283 -3.1306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.7992 -6.4303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7992 -7.2553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0847 -7.6678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 27 2 1 0 0 0 0 2 30 1 6 0 0 0 5 3 1 0 0 0 0 5 6 1 1 0 0 0 7 5 1 0 0 0 0 7 15 1 1 0 0 0 8 4 1 0 0 0 0 8 3 1 0 0 0 0 8 22 1 6 0 0 0 8 24 1 0 0 0 0 9 7 1 0 0 0 0 9 4 1 0 0 0 0 9 14 1 0 0 0 0 9 26 1 6 0 0 0 10 1 1 0 0 0 0 10 18 1 0 0 0 0 10 11 1 0 0 0 0 12 11 1 0 0 0 0 12 28 1 1 0 0 0 13 12 1 0 0 0 0 2 13 1 0 0 0 0 13 29 1 1 0 0 0 14 16 1 0 0 0 0 14 17 1 1 0 0 0 16 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 2 0 0 0 0 24 23 1 0 0 0 0 24 25 2 0 0 0 0 27 33 1 1 0 0 0 27 32 1 0 0 0 0 32 31 1 0 0 0 0 10 19 1 6 0 0 0 36 34 1 0 0 0 0 36 22 1 1 0 0 0 37 36 1 0 0 0 0 37 41 1 1 0 0 0 38 35 1 0 0 0 0 38 34 1 0 0 0 0 38 45 1 6 0 0 0 38 47 1 0 0 0 0 39 37 1 0 0 0 0 39 35 1 0 0 0 0 39 40 1 0 0 0 0 39 49 1 6 0 0 0 40 42 1 0 0 0 0 40 43 1 6 0 0 0 42 44 1 0 0 0 0 47 46 1 0 0 0 0 47 48 2 0 0 0 0 45 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 2 0 0 0 0 M END > CHEBI:60350 > alpha-Kdo-(2->8)-alpha-Kdo-(2->4)-alpha-Kdo-OAll > A trisaccharide derivative consisting of three 3-deoxy-α-D-manno-oct-2-ulopyranonosyl units in a linear sequence with an O-allyl group at the anomeric centre. > 3 > alpha-Kdo-(2->8)-alpha-Kdo-(2->4)-alpha-Kdo-(2->OAll) > allyl 3-deoxy-alpha-D-manno-oct-2-ulopyranonosyl-(2->8)-3-deoxy-alpha-D-manno-oct-2-ulopyranonosyl-(2->4)-3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid > C27H42O22 > 718.60920 > 718.21677 > 0 > [H][C@@]1(O[C@@](C[C@@H](O)[C@H]1O)(OC[C@@H](O)[C@@]1([H])O[C@@](C[C@@H](O)[C@H]1O)(O[C@@H]1C[C@@](OCC=C)(O[C@]([H])([C@H](O)CO)[C@@H]1O)C(O)=O)C(O)=O)C(O)=O)[C@H](O)CO > InChI=1S/C27H42O22/c1-2-3-44-26(23(40)41)6-15(18(37)20(48-26)13(33)8-29)46-27(24(42)43)5-11(31)17(36)21(49-27)14(34)9-45-25(22(38)39)4-10(30)16(35)19(47-25)12(32)7-28/h2,10-21,28-37H,1,3-9H2,(H,38,39)(H,40,41)(H,42,43)/t10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,25-,26-,27-/m1/s1 > SHRGTIVLJDYHDH-RCNNKATQSA-N > 14625588 $$$$