Marvin 11231218022D 59 59 0 0 0 0 999 V2000 -0.9666 0.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6812 0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3956 0.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4623 0.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2522 0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8913 0.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1767 0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6057 0.8251 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3201 0.4126 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0347 0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6057 1.6499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3201 -0.4126 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1101 0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8245 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5390 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2535 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9680 0.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6824 0.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3201 -1.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0346 -1.6501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6056 -1.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7492 0.4126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9680 1.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4637 0.8251 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4637 1.6501 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1781 2.0626 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8926 1.6501 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8926 0.8251 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1781 0.4126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7492 2.0626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1781 2.8876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6071 2.0626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6071 0.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3216 0.8251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8911 -1.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1767 -1.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4622 -1.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2523 -1.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9668 -1.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6812 -1.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3957 -1.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1102 -1.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8246 -1.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5391 -1.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2536 -1.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9681 -1.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6825 -1.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3970 -1.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1114 -1.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8259 -1.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5404 -1.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2548 -1.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9693 -1.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6838 -1.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3983 -1.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1128 -1.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8273 -1.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5418 -1.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2563 -1.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 5 4 1 0 0 0 0 1 5 1 0 0 0 0 7 6 2 0 0 0 0 4 7 1 0 0 0 0 8 6 1 0 0 0 0 8 11 1 1 0 0 0 8 9 1 0 0 0 0 9 12 1 6 0 0 0 9 10 1 0 0 0 0 3 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 17 1 0 0 0 0 17 18 1 0 0 0 0 12 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 10 22 1 0 0 0 0 17 23 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 24 29 1 0 0 0 0 29 28 1 0 0 0 0 25 30 1 6 0 0 0 26 31 1 1 0 0 0 27 32 1 6 0 0 0 28 33 1 1 0 0 0 24 22 1 1 0 0 0 33 34 1 0 0 0 0 21 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 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 58 59 1 0 0 0 0 M END > CHEBI:71139 > N-heptacosanoyl-1-O-beta-D-glucosyl-15-methylhexadecasphing-4-enine > An N-acyl-1-O-β-D-glucosyl-15-methylhexadecasphing-4-enine in which the acyl group has 27 carbons and 0 double bonds. > 3 > 1-O-beta-D-glucosyl-N-heptacosanoyl-15-methylhexadecasphing-4-enine > C50H97NO8 > 840.30710 > 839.72142 > 0 > CCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCC(C)C > InChI=1S/C50H97NO8/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-30-33-36-39-46(54)51-43(41-58-50-49(57)48(56)47(55)45(40-52)59-50)44(53)38-35-32-29-26-24-25-28-31-34-37-42(2)3/h35,38,42-45,47-50,52-53,55-57H,4-34,36-37,39-41H2,1-3H3,(H,51,54)/b38-35+/t43-,44+,45+,47+,48-,49+,50+/m0/s1 > WHZMAKSXJWIGCF-YCFUVBEZSA-N $$$$