Ketcher 11271517012D 1 1.00000 0.00000 0 46 47 0 0 0 999 V2000 0.0000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8661 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8661 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8661 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8661 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4642 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3302 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4642 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3302 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3302 -3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7320 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7320 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8661 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9283 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7944 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6603 -1.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7944 0.4999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5264 -0.5002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6604 0.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3923 -1.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3923 -2.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2584 -0.5002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6604 1.9999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5264 0.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1244 -1.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9905 -0.5003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8565 -1.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7225 -0.5003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5885 -1.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4546 -0.5003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3924 0.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2585 0.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1245 0.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9905 0.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8565 0.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7226 0.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 6 0 0 2 1 1 0 0 0 2 17 1 6 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 19 1 1 0 0 1 5 1 0 0 0 5 20 1 1 0 0 5 6 1 0 0 0 4 6 1 0 0 0 6 21 1 1 0 0 7 8 1 0 0 0 7 16 1 1 0 0 7 9 1 0 0 0 8 10 1 0 0 0 9 11 1 0 0 0 9 12 1 1 0 0 10 13 1 0 0 0 10 23 1 1 0 0 11 14 1 1 0 0 11 13 1 0 0 0 13 15 1 6 0 0 16 17 1 0 0 0 19 22 1 0 0 0 23 24 1 0 0 0 25 24 1 0 0 0 25 26 1 0 0 0 25 27 1 6 0 0 26 28 1 0 0 0 27 29 1 0 0 0 28 30 1 0 0 0 29 34 1 0 0 0 29 33 2 0 0 0 30 31 2 0 0 0 30 32 1 0 0 0 32 35 1 0 0 0 35 36 1 0 0 0 36 37 1 0 0 0 37 38 1 0 0 0 38 39 1 0 0 0 39 40 1 0 0 0 34 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 0 0 0 45 46 1 0 0 0 M END > CHEBI:90457 > 3-[alpha-D-galactosyl-(1->6)-beta-D-galactosyl]-1,2-dioctoanoyl-sn-glycerol > A glycolipid that consists of 1,2-dioctanoyl-sn-glycerol having an α-D-galactosyl-(1→6)-β-D-galactosyl residue attached at position 3. > 3 > 3-O-(6-O-alpha-D-galactosyl-beta-D-galactosyl)-1,2-dioctanoyl-sn-glycerol; 3-O-(6-O-alpha-D-galactopyranosyl-beta-D-galactopyranosyl)-1,2-dioctanoyl-sn-glycerol; 3-[alpha-D-Gal-(1->6)-beta-D-Gal]-1,2-dioctanoyl-sn-glycerol; 1,2-dioctanoyl-3-O-(alpha-D-galactosyl-(1->6)-beta-D-galactosyl)-sn-glycerol > (2S)-3-[(6-O-alpha-D-galactopyranosyl-beta-D-galactopyranosyl)oxy]propane-1,2-diyl dioctanoate > C31H56O15 > 668.769 > 668.36192 > 0 > [C@H]1(O)[C@@H](OC[C@H]2O[C@H]([C@@H]([C@H]([C@H]2O)O)O)OC[C@@H](COC(=O)CCCCCCC)OC(CCCCCCC)=O)O[C@H](CO)[C@@H]([C@@H]1O)O > InChI=1S/C31H56O15/c1-3-5-7-9-11-13-22(33)41-16-19(44-23(34)14-12-10-8-6-4-2)17-42-30-29(40)27(38)25(36)21(46-30)18-43-31-28(39)26(37)24(35)20(15-32)45-31/h19-21,24-32,35-40H,3-18H2,1-2H3/t19-,20-,21-,24+,25+,26+,27+,28-,29-,30-,31+/m1/s1 > VJRNLEJCPYFBMF-RXODWZMSSA-N > 21266315 > 20083229 $$$$