LMSL05000024 LIPID_MAPS_STRUCTURE_DATABASE 42 42 0 0 0 999 V2000 -0.7180 -0.9384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1487 -0.4395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 0.5605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7154 1.0616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0141 -0.9406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8808 -0.4418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0128 -1.9406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7193 -1.9369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4448 -1.9039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0128 -3.9365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1474 -3.4383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7192 -3.9386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5845 -3.4406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5858 -2.4372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8338 -4.9207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1489 -2.4398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7205 -4.9372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4511 -3.9408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4513 -4.9408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3174 -5.4407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3175 -6.4407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1833 -4.9406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5853 -5.4409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3063 -2.4012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3063 -3.3961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0425 -2.4012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7791 -2.4012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5156 -2.4012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2522 -2.4012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1742 -1.9039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9108 -1.9039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6473 -1.9039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3839 -1.9039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1205 -1.9039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.0667 -1.9039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9887 -2.4012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7253 -2.4012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4619 -2.4012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.1984 -2.4012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8570 -1.9039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5936 -1.9039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.3302 -1.9039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 2 5 1 6 0 0 5 6 1 0 0 0 5 7 2 0 0 0 8 1 1 1 0 0 14 9 1 1 0 0 8 14 1 0 0 0 16 8 1 0 0 0 12 17 1 1 0 0 13 18 1 6 0 0 11 10 1 6 0 0 12 11 1 0 0 0 13 12 1 0 0 0 14 13 1 0 0 0 11 16 1 0 0 0 15 10 1 0 0 0 18 19 1 0 0 0 19 20 1 0 0 0 19 23 2 0 0 0 20 21 1 0 0 0 20 22 1 0 0 0 24 25 2 0 0 0 0 9 24 1 0 0 0 0 24 30 1 0 0 0 0 30 26 1 0 0 0 0 26 31 1 0 0 0 0 31 27 1 0 0 0 0 27 32 1 0 0 0 0 32 28 1 0 0 0 0 28 33 1 0 0 0 0 33 29 1 0 0 0 0 29 34 1 0 0 0 0 34 36 1 0 0 0 0 36 40 1 0 0 0 0 40 37 1 0 0 0 0 37 41 1 0 0 0 0 41 38 1 0 0 0 0 38 42 1 0 0 0 0 42 39 1 0 0 0 0 39 35 1 0 0 0 0 M END > LMSL05000024 > Otitiglycomycin A > (2-O-octadecanoyl-3-O-isobutyroyl)-2R-(alpha-D-glucopyranosyloxy)-3-hydroxypropanoic acid > C31H56O11 > 604.38 > Saccharolipids [SL] > Other acyl sugars [SL05] > > - > > FWOWNJPLFPAJDQ-SVHFUYGWSA-N > InChI=1S/C31H56O11/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(34)41-28-27(42-30(38)22(2)3)26(35)23(20-32)39-31(28)40-24(21-33)29(36)37/h22-24,26-28,31-33,35H,4-21H2,1-3H3,(H,36,37)/t23-,24-,26-,27+,28-,31-/m1/s1 > O([C@H]1O[C@@H]([C@H]([C@@H]([C@H]1OC(CCCCCCCCCCCCCCCCC)=O)OC(=O)C(C)C)O)CO)[C@@H](C(=O)O)CO > - > - > - > - > - > - > - > - > - > - > - > - > 1823 > 39901729 $$$$