LMSP05010046 LIPID_MAPS_STRUCTURE_DATABASE 62 62 0 0 0 999 V2000 -2.7053 0.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5755 1.0259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4457 0.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2024 -0.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2082 -0.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6626 0.9986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1198 -0.8593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1198 -1.8655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1018 1.8463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0603 1.8655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3041 2.9613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3002 2.3863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3002 1.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3041 0.6613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3082 1.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3082 2.3863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3041 4.1114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2961 0.6613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2961 2.9613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6877 2.9613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3599 1.1604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6667 0.4236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9473 -0.3367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7754 -0.8113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6034 -0.3367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4314 -0.8113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2594 -0.3367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0874 -0.8113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9155 -0.3367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7435 -0.8113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5715 -0.3367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3995 -0.8113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2276 -0.3367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0556 -0.8113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8836 -0.3367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7116 -0.8113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.5397 -0.3367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.3677 -0.8113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.1957 -0.3367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.0237 -0.8113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.8518 -0.3367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.6798 -0.8113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -21.5078 -0.3367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -22.3358 -0.8113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -23.1639 -0.3367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -23.9919 -0.8113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9473 0.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2739 0.9686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1020 0.4957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9300 0.9686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7580 0.4957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5860 0.4957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4141 0.9686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2421 0.4957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0701 0.9686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8981 0.4957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7262 0.9686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5542 0.4957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3822 0.9686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2102 0.4957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0382 0.9686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0231 -0.1063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 1 5 1 6 0 0 0 1 4 1 1 0 0 0 6 1 1 0 0 0 0 7 8 2 0 0 0 0 7 5 1 0 0 0 0 2 9 1 1 0 0 0 2 10 1 6 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 11 1 0 0 0 0 11 17 1 1 0 0 0 13 18 1 1 0 0 0 12 19 1 6 0 0 0 16 20 1 6 0 0 0 18 21 1 0 0 0 0 6 22 1 0 0 0 0 15 22 1 1 0 0 0 7 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 23 47 1 1 0 0 0 3 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 2 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 58 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 3 62 1 6 0 0 M END > LMSP05010046 > GlcCer(t18:1(8Z)/25:0(2OH[R])) > N-(2R-hydroxypentacosanoyl)-1-beta-glucosyl-4R-hydroxy-8Z-octadecasphingenine > C49H95NO10 > 857.70 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Simple Glc series [SP0501] > - > 1-O-glucopyranosyl-2-N-2'-hydroxypentacosanoyl-4-hydroxy-8-sphingenine > JPDBHJZMCPAOTJ-XEZHIDIRSA-N > InChI=1S/C49H95NO10/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-42(53)48(58)50-40(39-59-49-47(57)46(56)45(55)43(38-51)60-49)44(54)41(52)36-34-32-30-28-26-16-14-12-10-8-6-4-2/h28,30,40-47,49,51-57H,3-27,29,31-39H2,1-2H3,(H,50,58)/b30-28-/t40-,41+,42+,43+,44-,45+,46-,47+,49+/m0/s1 > [C@](CO[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1)([H])(NC([C@H](O)CCCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)[C@H](O)CCC/C=C\CCCCCCCCC > - > - > - > HexCer 43:1;O4 > - > - > 11308939 > - > - > - > - > - > 3990 > 17540352 $$$$