Mrv0541 02111515012D 62 63 0 0 0 0 999 V2000 2.6093 -15.1279 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5900 -14.3140 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8409 -15.5242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2574 -15.5567 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2953 -13.9232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8789 -13.8905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1409 -15.9204 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9848 -15.1605 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2357 -16.3762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0064 -14.3465 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4297 -15.4970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1136 -16.7453 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6848 -15.5947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7283 -13.9612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2866 -15.8878 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3918 -17.1308 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7106 -17.0439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4447 -14.3683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3030 -16.7127 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9868 -15.4644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3701 -17.9557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1557 -13.9448 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0409 -17.1091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8829 -14.3519 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1502 -13.1199 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5993 -13.9287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8884 -15.1769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3158 -14.3357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0266 -13.9178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3223 -15.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0398 -15.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7510 -15.1494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7446 -14.3245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4558 -13.9064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4687 -15.5563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1799 -15.1382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1735 -14.3133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8847 -13.8953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8976 -15.5451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6088 -15.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6024 -14.3022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9868 -14.6394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8738 -13.0655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8619 -12.7026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4346 -13.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1492 -12.7026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8637 -13.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0055 -13.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7201 -12.7026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5763 -13.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2910 -12.7026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8619 -11.8776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5782 -12.7027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0073 -12.7027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2926 -13.1152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4364 -12.7027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7217 -13.1152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8655 -12.7027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1508 -13.1152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5799 -13.1152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2944 -12.7027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2945 -11.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 6 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 1 0 0 0 7 3 1 1 0 0 0 4 8 1 0 0 0 0 4 9 1 1 0 0 0 5 10 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 8 13 1 6 0 0 0 10 14 1 1 0 0 0 11 15 1 0 0 0 0 12 16 1 0 0 0 0 12 17 1 6 0 0 0 14 18 1 0 0 0 0 15 19 1 0 0 0 0 15 20 1 1 0 0 0 16 21 1 1 0 0 0 18 22 1 0 0 0 0 19 23 1 1 0 0 0 22 24 1 0 0 0 0 22 25 1 6 0 0 0 24 26 1 0 0 0 0 24 27 1 1 0 0 0 26 28 2 0 0 0 0 8 10 1 0 0 0 0 16 19 1 0 0 0 0 29 28 1 0 0 0 0 29 33 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 35 1 0 0 0 0 34 33 1 0 0 0 0 35 36 1 0 0 0 0 34 37 1 0 0 0 0 36 39 1 0 0 0 0 38 37 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 38 41 1 0 0 0 0 20 42 1 0 0 0 0 6 43 1 0 0 0 0 25 44 1 0 0 0 0 46 45 1 0 0 0 0 47 46 1 0 0 0 0 49 48 1 0 0 0 0 45 49 1 0 0 0 0 51 50 1 0 0 0 0 48 51 1 0 0 0 0 50 44 1 0 0 0 0 44 52 2 0 0 0 0 47 53 1 0 0 0 0 55 54 1 0 0 0 0 53 55 1 0 0 0 0 57 56 1 0 0 0 0 54 57 1 0 0 0 0 59 58 1 0 0 0 0 56 59 1 0 0 0 0 58 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 M END > CHEBI:84759 > beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-N-octadecanoylsphingosine > A ?-D-galactosyl-(1?4)-?-D-glucosyl-(1?1?)-N-acylsphingosine in which the acyl group specified is octadecanoyl. > 3 > N-(octadecanoyl)-1-b-lactosyl-sphing-4-enine; LacCer(d18:1/18:0) > N-[(2S,3R,4E)-1-{[4-O-(beta-D-galactopyranosyl)-beta-D-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]octadecanamide > C48H91NO13 > 890.23500 > 889.64904 > 0 > CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC > InChI=1S/C48H91NO13/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(53)49-36(37(52)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)35-59-47-45(58)43(56)46(39(34-51)61-47)62-48-44(57)42(55)41(54)38(33-50)60-48/h29,31,36-39,41-48,50-52,54-58H,3-28,30,32-35H2,1-2H3,(H,49,53)/b31-29+/t36-,37+,38+,39+,41-,42-,43+,44+,45+,46+,47+,48-/m0/s1 > VOZHMDQUIRUFQW-LOTHNZFDSA-N > 9037437 > LMSP0501AB04 $$$$