LMSP06000003 LIPID_MAPS_STRUCTURE_DATABASE 53 54 0 0 0 0 0 0 0 0999 V2000 17.9409 0.1230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8406 -0.7630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0202 -2.8463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2656 -2.5661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3170 -4.3139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1724 -1.5197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0307 -0.9187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9823 -1.3641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0722 -2.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2138 -3.0067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3036 -4.0482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5030 -4.7230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5304 -1.0835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7176 -0.6155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9046 -1.0835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0003 -1.8964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0606 -1.8964 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3435 -0.6141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1566 -1.0835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2090 -2.3768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2090 -3.3168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1601 0.1509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2646 0.1689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3895 -1.9072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5702 -2.3768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7508 -1.9072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9315 -2.3768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1122 -1.9072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2929 -2.3768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4736 -1.9072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6542 -2.3768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8349 -1.9072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0156 -2.3768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1963 -1.9072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3769 -2.3768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5576 -1.9072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0857 -0.6155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2663 -1.0835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4470 -0.6155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6277 -1.0835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8084 -0.6155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9891 -1.0835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1697 -0.6155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3504 -1.0835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5311 -0.6155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7117 -0.6155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8924 -1.0835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0731 -0.6155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2538 -1.0835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4344 -0.6155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1215 0.0923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5707 -1.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2976 -0.6235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5 11 1 0 0 0 10 4 1 0 0 0 4 6 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 11 1 1 0 0 7 1 1 6 0 0 8 2 1 1 0 0 9 3 1 1 0 0 11 12 2 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 13 17 1 6 0 0 13 16 1 1 0 0 18 13 1 0 0 0 19 18 1 0 0 0 20 21 2 0 0 0 20 17 1 0 0 0 14 22 1 1 0 0 14 23 1 6 0 0 20 24 1 0 0 0 24 25 1 0 0 0 25 26 1 0 0 0 26 27 1 0 0 0 27 28 1 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 30 31 1 0 0 0 31 32 1 0 0 0 32 33 1 0 0 0 33 34 1 0 0 0 34 35 1 0 0 0 35 36 1 0 0 0 15 37 1 0 0 0 37 38 1 0 0 0 38 39 1 0 0 0 39 40 1 0 0 0 40 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 46 47 1 0 0 0 47 48 1 0 0 0 48 49 1 0 0 0 49 50 1 0 0 0 6 19 1 6 0 0 45 51 1 0 0 0 51 46 1 0 0 0 50 52 1 0 0 0 52 53 1 0 0 0 M END > LMSP06000003 > GalAalphaCer(d21:1(13cy3)/14:0) > N-tetradecanoyl-1-alpha-galacturonosyl-13,14-methylene-eicosasphinganine > C41H77NO9 > 727.56 > Sphingolipids [SP] > Acidic glycosphingolipids [SP06] > Other Acidic glycosphingolipids [SP0600] > - > GSL-1'sw > VZUSNCIJXRKGHW-URBDSTDFSA-N > InChI=1S/C41H77NO9/c1-3-5-7-9-10-11-12-13-17-20-24-28-35(44)42-33(30-50-41-38(47)36(45)37(46)39(51-41)40(48)49)34(43)27-23-19-16-14-15-18-22-26-32-29-31(32)25-21-8-6-4-2/h31-34,36-39,41,43,45-47H,3-30H2,1-2H3,(H,42,44)(H,48,49)/t31?,32?,33-,34+,36-,37+,38+,39-,41-/m0/s1 > O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](C(=O)O)O[C@@H]1OC[C@]([H])(NC(CCCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCC1CC1CCCCCC > - > - > - > - > - > - > 178332887 > - > - > - > - > - > 392499 > 12351245 $$$$