LMSP06000011 LIPID_MAPS_STRUCTURE_DATABASE 87 91 0 0 0 0 0 0 0 0999 V2000 12.8041 -9.5743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8274 -7.5476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5613 -6.5466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2898 -7.5475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5614 -9.5494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0529 -8.9019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6918 -9.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6918 -8.0481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5614 -7.5475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4256 -8.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4256 -9.0487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2898 -9.5493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3140 -5.5738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0478 -4.5729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0480 -7.5755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1783 -7.0751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1783 -6.0743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0480 -5.5737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9121 -6.0742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9121 -7.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7763 -7.5754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5394 -6.9281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5147 -4.9438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2487 -3.9428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2488 -6.9454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.7402 -6.2980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3789 -6.4452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3789 -5.4442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2488 -4.9436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1129 -5.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1129 -6.4450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9772 -6.9453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7763 -5.5737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9404 -4.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9404 -2.9483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.6742 -1.9475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.4027 -2.9482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.6744 -4.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.1657 -4.3026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.8046 -4.4496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8046 -3.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6744 -2.9482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5384 -3.4487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5384 -4.4495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.4027 -4.9499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3791 -10.5455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0600 -9.5273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1865 -9.0244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3127 -9.5273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5649 -10.4009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5551 -10.4009 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9339 -9.0229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6400 -10.9172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6400 -11.9275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6620 -8.2007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6996 -8.1814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7595 -10.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8790 -10.9172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9985 -10.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1180 -10.9172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2374 -10.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3569 -10.9172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4764 -10.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5958 -10.9172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7153 -10.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8348 -10.9172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0457 -10.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9263 -10.9172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8068 -10.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7595 -9.7399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4318 -9.0245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5512 -9.5273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6707 -9.0245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7902 -9.5273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9096 -9.0245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0291 -9.5273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1486 -9.0245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2681 -9.5273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3875 -9.0245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5070 -9.0245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3735 -9.5273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2540 -9.0245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1345 -9.5273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0150 -9.0245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8955 -9.5273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7761 -9.0245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9473 -8.2638 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 39 45 1 0 0 0 44 38 1 0 0 0 38 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 1 0 0 40 34 1 6 0 0 41 35 1 6 0 0 42 36 1 1 0 0 43 37 1 6 0 0 30 34 1 1 0 0 16 4 1 6 0 0 12 46 2 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 47 51 1 6 0 0 0 47 50 1 1 0 0 0 52 47 1 0 0 0 0 53 54 2 0 0 0 0 53 51 1 0 0 0 0 48 55 1 1 0 0 0 48 56 1 6 0 0 0 53 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 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 57 70 1 6 0 0 0 49 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 75 76 1 0 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 78 79 1 0 0 0 0 79 80 1 0 0 0 0 80 81 1 0 0 0 0 81 82 1 0 0 0 0 82 83 1 0 0 0 0 83 84 1 0 0 0 0 84 85 1 0 0 0 0 85 86 1 0 0 0 0 1 52 1 0 0 0 0 79 87 1 0 0 0 87 80 1 0 0 0 M END > LMSP06000011 > > Glcalpha1-4Galalpha1-6Glcalpha1-4GlcAalpha-Cer(d21:1(13Cy3)/14:0(2OH[S])) > C59H107NO25 > 1229.71 > Sphingolipids [SP] > Acidic glycosphingolipids [SP06] > Other Acidic glycosphingolipids [SP0600] > - > > ABNBKKQHSZHYRH-SSLUBKGQSA-N > InChI=1S/C59H107NO25/c1-3-5-7-9-10-11-12-15-19-23-27-37(64)54(75)60-35(36(63)26-22-18-16-13-14-17-21-25-34-28-33(34)24-20-8-6-4-2)31-78-57-50(74)46(70)52(53(85-57)55(76)77)84-59-48(72)44(68)42(66)40(82-59)32-79-56-49(73)45(69)51(39(30-62)81-56)83-58-47(71)43(67)41(65)38(29-61)80-58/h33-53,56-59,61-74H,3-32H2,1-2H3,(H,60,75)(H,76,77)/t33?,34?,35-,36+,37-,38+,39+,40+,41+,42+,43-,44-,45+,46+,47+,48+,49+,50+,51-,52-,53-,56-,57-,58+,59+/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](O)[C@@H](O)[C@H](O)[C@@H](CO[C@@H]3[C@H](O)[C@@H](O)[C@@H](O[C@@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)[C@@H](CO)O3)O2)[C@@H](C(=O)O)O1 > - > - > - > - > - > - > 178332895 > - > - > - > - > - > 28212 > 11423114 $$$$