Ketcher 06271714592D 1 1.00000 0.00000 0 38 39 0 1 0 999 V2000 12.0130 -9.2510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0130 -8.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8829 -9.7531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7525 -9.2510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7525 -8.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8829 -7.7444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1433 -9.7531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1433 -7.7444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6222 -9.7531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2736 -8.2466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8829 -10.7575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4037 -7.7445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5340 -8.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4037 -6.7402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6642 -7.7444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5340 -6.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6642 -6.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5340 -9.2510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7944 -6.2378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7944 -8.2465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5342 -5.2335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4040 -4.7314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6223 -7.7445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4922 -5.3053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4922 -6.2380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2901 -6.6684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6223 -6.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7525 -6.2380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8828 -6.7401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4040 -3.7271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2739 -3.2248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5342 -3.2248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1437 -3.7269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0134 -3.2247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8833 -3.7267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7530 -3.2244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6229 -3.7265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4926 -3.2244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 6 0 0 1 2 1 0 0 0 2 8 1 1 0 0 3 1 1 0 0 0 3 11 1 1 0 0 3 4 1 0 0 0 4 9 1 6 0 0 4 5 1 0 0 0 2 6 1 0 0 0 5 6 1 0 0 0 8 10 1 0 0 0 12 13 1 0 0 0 12 14 1 0 0 0 13 15 1 0 0 0 14 16 1 0 0 0 15 17 1 0 0 0 16 17 1 0 0 0 13 18 1 6 0 0 17 19 1 6 0 0 15 20 1 1 0 0 12 10 1 6 0 0 16 21 1 1 0 0 21 22 1 0 0 0 5 23 1 6 0 0 25 24 2 0 0 0 26 25 1 0 0 0 27 25 1 0 0 0 28 27 1 0 0 0 29 28 1 0 0 0 27 23 1 6 0 0 30 31 1 0 0 0 30 32 2 0 0 0 31 33 1 0 0 0 33 34 1 0 0 0 34 35 1 0 0 0 35 36 1 0 0 0 36 37 1 0 0 0 37 38 1 0 0 0 30 22 1 0 0 0 M CHG 1 26 -1 M END > CHEBI:136743 > 2-O-[6-O-octanoyl-alpha-D-glucosyl-(1->6)-alpha-D-glucosyl]-D-glycerate > A carbohydrate acid derivative anion that is the conjugate base of 2-O-[6-O-octanoyl-α-D-glucosyl-(1→6)-α-D-glucosyl]-D-glyceric acid arising from deprotonation of the carboxy group; major species at pH 7.3. > 3 > 6-Oct-DGG(1-); 6-O-octanoyl-diglucosylglycerate; (2R)-2-O-(6-O-octanoyl-alpha-D-glucopyranosyl-(1->6)-alpha-D-glucopyranosyl-(1->2))-glycerate > (2R)-3-hydroxy-2-{[6-O-(6-O-octanoyl-alpha-D-glucopyranosyl)-alpha-D-glucopyranosyl]oxy}propanoate > C23H39O15 > 555.548 > 555.22944 > -1 > [C@@H]1(O)[C@@H](CO[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(CCCCCCC)=O)O)O)O)O[C@@H]([C@@H]([C@H]1O)O)O[C@@H](C(=O)[O-])CO > InChI=1S/C23H40O15/c1-2-3-4-5-6-7-14(25)34-9-12-15(26)17(28)19(30)22(37-12)35-10-13-16(27)18(29)20(31)23(38-13)36-11(8-24)21(32)33/h11-13,15-20,22-24,26-31H,2-10H2,1H3,(H,32,33)/p-1/t11-,12-,13-,15-,16-,17+,18+,19-,20-,22+,23+/m1/s1 > VGKUTDQBPZMQAK-KADMOUQGSA-M > 26324178 $$$$