LMSP06000007 LIPID_MAPS_STRUCTURE_DATABASE 86 89 0 0 0 0 0 0 0 0999 V2000 17.9443 -13.0432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0728 -12.5413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2010 -13.0432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4481 -13.9147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4404 -13.9147 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.8161 -12.5399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5275 -14.4299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5275 -15.4378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5472 -11.7197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5871 -11.7004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6492 -13.9263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7706 -14.4299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8921 -13.9263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0137 -14.4299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1351 -13.9263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2566 -14.4299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3782 -13.9263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4997 -14.4299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6212 -13.9263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7427 -14.4299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8642 -13.9263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9857 -14.4299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1072 -13.9263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6492 -13.2553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3221 -12.5415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4436 -13.0432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9115 -11.0773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3108 -9.1671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6632 -7.6970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2424 -9.8191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1513 -7.2462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5648 -10.5596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5877 -10.3422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2879 -9.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9641 -8.6494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9412 -8.8668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6176 -8.1317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8162 -11.4979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6095 -8.2610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7967 -8.4728 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2090 -7.2526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4737 -5.2725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9844 -6.1052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8541 -7.1004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9291 -7.4828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1340 -6.8701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2665 -5.8801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1915 -5.4978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3240 -4.5078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6110 -2.5970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5658 -3.0319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1626 -4.9383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4976 -5.2270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7713 -6.4347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1948 -4.2701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9095 -3.5501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8890 -3.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1874 -4.7226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5105 -5.4602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8091 -6.4133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7817 -1.8212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5218 0.1644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1090 1.3773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2955 -0.9868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6525 1.5628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4998 -1.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5752 -1.2147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4462 -0.2193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2399 0.3870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1644 0.0034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9581 0.6098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2105 -4.0446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5953 -12.5677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7207 -13.0687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8462 -12.5677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9718 -13.0687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0973 -12.5677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2228 -13.0687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3484 -12.5677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4738 -12.5677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5994 -13.0687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7248 -12.5677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8504 -13.0687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9759 -12.5677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1014 -13.0687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2269 -12.5677 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 1 5 1 6 0 0 1 4 1 1 0 0 6 1 1 0 0 0 7 8 2 0 0 0 7 5 1 0 0 0 2 9 1 1 0 0 2 10 1 6 0 0 7 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 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 0 0 0 21 22 1 0 0 0 22 23 1 0 0 0 11 24 1 6 0 0 3 25 1 0 0 0 25 26 1 0 0 0 31 37 1 0 0 0 36 30 1 0 0 0 30 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 36 37 1 1 0 0 33 27 1 6 0 0 34 28 1 1 0 0 35 29 1 6 0 0 6 38 1 0 0 0 32 38 1 6 0 0 37 39 2 0 0 0 48 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 1 0 0 45 40 1 6 0 0 46 41 1 1 0 0 47 42 1 6 0 0 44 29 1 6 0 0 54 60 1 0 0 0 59 53 1 0 0 0 53 55 1 0 0 0 55 56 1 0 0 0 56 57 1 0 0 0 57 58 1 0 0 0 58 59 1 0 0 0 59 60 1 1 0 0 56 50 1 6 0 0 57 51 1 1 0 0 58 52 1 1 0 0 65 71 1 0 0 0 70 64 1 0 0 0 64 66 1 0 0 0 66 67 1 0 0 0 67 68 1 0 0 0 68 69 1 0 0 0 69 70 1 0 0 0 70 71 1 1 0 0 67 61 1 1 0 0 68 62 1 1 0 0 69 63 1 6 0 0 66 50 1 6 0 0 49 72 1 0 0 0 55 72 1 6 0 0 73 74 1 0 0 0 74 75 1 0 0 0 75 76 1 0 0 0 76 77 1 0 0 0 77 78 1 0 0 0 78 79 1 0 0 0 79 80 2 0 0 0 80 81 1 0 0 0 81 82 1 0 0 0 82 83 1 0 0 0 83 84 1 0 0 0 84 85 1 0 0 0 85 86 1 0 0 0 26 73 1 0 0 0 M END > LMSP06000007 > > Manalpha1-2Galalpha1-6GlcNalpha1-4GlcAalpha-Cer(d20:1(13Z)/14:0(2OH[S])) > C58H106N2O24 > 1214.71 > Sphingolipids [SP] > Acidic glycosphingolipids [SP06] > Other Acidic glycosphingolipids [SP0600] > - > > BTBZXZUTOGMCGE-VDTJEJQXSA-N > InChI=1S/C58H106N2O24/c1-3-5-7-9-11-13-15-16-17-18-19-21-22-24-26-28-35(63)34(60-53(74)36(64)29-27-25-23-20-14-12-10-8-6-4-2)32-77-56-49(73)47(71)50(52(84-56)54(75)76)82-55-40(59)44(68)43(67)39(81-55)33-78-58-51(46(70)42(66)38(31-62)80-58)83-57-48(72)45(69)41(65)37(30-61)79-57/h13,15,34-52,55-58,61-73H,3-12,14,16-33,59H2,1-2H3,(H,60,74)(H,75,76)/b15-13-/t34-,35+,36-,37+,38+,39+,40+,41+,42-,43+,44+,45-,46-,47+,48-,49+,50-,51+,52-,55+,56-,57+,58-/m0/s1 > [C@](CO[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]4[C@@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)[C@@H](O)[C@@H](O)[C@@H](CO)O3)O2)[C@@H](C(=O)O)O1)([H])(NC([C@@H](O)CCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCC/C=C\CCCCCC > - > - > - > - > - > - > 178332891 > - > - > - > - > - > 13689 > 11423962 $$$$