LMSP06000013 LIPID_MAPS_STRUCTURE_DATABASE 76 79 0 0 0 0 0 0 0 0999 V2000 12.8070 -9.5814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8304 -7.5492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5689 -6.5456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3021 -7.5491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5690 -9.5564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0672 -8.9072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6971 -9.0545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6971 -8.0511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5690 -7.5491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4356 -8.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4356 -9.0544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3021 -9.5563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3263 -5.5701 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.0648 -4.5666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0650 -7.5772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1929 -7.0755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1929 -6.0720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0650 -5.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9314 -6.0719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9314 -7.0754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7979 -7.5771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5630 -6.9281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5383 -4.9385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2769 -3.9348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2770 -6.9454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.7751 -6.2963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4048 -6.4439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4048 -5.4402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2770 -4.9383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1434 -5.4401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1434 -6.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0101 -6.9453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7979 -5.5700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9732 -4.9447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3916 -10.5552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0583 -9.5342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1824 -9.0300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3063 -9.5342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5645 -10.4102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5520 -10.4102 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9345 -9.0285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6345 -10.9279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6345 -11.9409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6592 -8.2041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6942 -8.1847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7516 -10.4218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8687 -10.9279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9859 -10.4218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1030 -10.9279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2201 -10.4218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3372 -10.9279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4544 -10.4218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5714 -10.9279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6885 -10.4218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8057 -10.9279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0772 -10.4218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9601 -10.9279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8430 -10.4218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7516 -9.7474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4230 -9.0301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5401 -9.5342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6572 -9.0301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7744 -9.5342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8914 -9.0301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0085 -9.5342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1257 -9.0301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2428 -9.5342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3599 -9.0301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4770 -9.0301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4058 -9.5342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2887 -9.0301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1716 -9.5342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0544 -9.0301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9373 -9.5342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8202 -9.0301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9185 -8.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6 12 1 0 0 0 11 5 1 0 0 0 5 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 0 0 0 11 12 1 1 0 0 8 2 1 6 0 0 9 3 1 1 0 0 10 4 1 6 0 0 7 1 1 6 0 0 20 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 18 19 1 0 0 0 19 20 1 0 0 0 20 21 1 1 0 0 17 13 1 6 0 0 18 14 1 1 0 0 22 21 1 0 0 0 26 32 1 0 0 0 31 25 1 0 0 0 25 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 1 0 0 28 23 1 6 0 0 29 24 1 1 0 0 19 33 1 6 0 0 27 22 1 6 0 0 30 34 1 1 0 0 16 4 1 6 0 0 12 35 2 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 36 40 1 6 0 0 0 36 39 1 1 0 0 0 41 36 1 0 0 0 0 42 43 2 0 0 0 0 42 40 1 0 0 0 0 37 44 1 1 0 0 0 37 45 1 6 0 0 0 42 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 46 59 1 6 0 0 0 38 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 74 75 1 0 0 0 0 1 41 1 0 0 0 0 68 76 1 0 0 0 76 69 1 0 0 0 M END > LMSP06000013 > > Galalpha1-6GlcNalpha1-4GlcAalpha-Cer(d21:1(13Cy3)/14:0(2OH[S])) > C53H98N2O19 > 1066.68 > Sphingolipids [SP] > Acidic glycosphingolipids [SP06] > Other Acidic glycosphingolipids [SP0600] > - > > VGKWKOWLXIXUHY-CXIFFGRKSA-N > InChI=1S/C53H98N2O19/c1-3-5-7-9-10-11-12-15-19-23-27-36(58)49(66)55-34(35(57)26-22-18-16-13-14-17-21-25-33-28-32(33)24-20-8-6-4-2)30-69-53-46(65)44(63)47(48(74-53)50(67)68)73-51-39(54)42(61)41(60)38(72-51)31-70-52-45(64)43(62)40(59)37(29-56)71-52/h32-48,51-53,56-65H,3-31,54H2,1-2H3,(H,55,66)(H,67,68)/t32?,33?,34-,35+,36-,37+,38+,39+,40-,41+,42+,43-,44+,45+,46+,47-,48-,51+,52-,53-/m0/s1 > O(C[C@]([H])(NC([C@@H](O)CCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCC1CC1CCCCCC)[C@@H]1[C@H](O)[C@@H](O)[C@H](O[C@@H]2[C@H](N)[C@@H](O)[C@H](O)[C@@H](CO[C@@H]3[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO)O3)O2)[C@@H](C(=O)O)O1 > - > - > - > - > - > - > 178332896 > - > - > - > - > - > 13688 > 10712617 $$$$