Mrv0541 02051516052D 51 51 0 0 0 0 999 V2000 -1.4278 -2.1211 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4278 -1.2961 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1423 -2.5336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7134 -2.5336 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7134 -0.8836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1423 -0.8836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0011 -2.1211 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7134 -3.3586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0011 -1.2961 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7156 -2.5336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7156 -0.8836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4300 -1.2961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1445 -0.8836 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8590 -1.2961 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1445 -0.0587 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5735 -0.8836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8590 -2.1211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1423 -0.0587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2900 -1.2906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0008 -0.8727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2965 -2.1157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0141 -2.5225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7252 -2.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7189 -1.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4301 -0.8613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4430 -2.5114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1542 -2.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1478 -1.2682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8590 -0.8502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8719 -2.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5831 -2.0822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5767 -1.2571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8590 0.3538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5735 -0.0587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8590 1.1788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2879 0.3538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0023 -0.0587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7168 0.3538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4313 -0.0587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1456 0.3538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8601 -0.0587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5746 0.3538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2891 -0.0587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0035 0.3538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7179 -0.0587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4324 0.3538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1468 -0.0587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8613 0.3538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5758 -0.0587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2902 0.3538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0046 -0.0587 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 4 7 1 0 0 0 0 4 8 1 1 0 0 0 5 9 1 0 0 0 0 7 10 1 6 0 0 0 9 11 1 1 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 6 0 0 0 14 16 1 0 0 0 0 14 17 1 1 0 0 0 7 9 1 0 0 0 0 6 18 1 0 0 0 0 16 19 2 0 0 0 0 20 19 1 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 26 1 0 0 0 0 25 24 1 0 0 0 0 26 27 1 0 0 0 0 25 28 1 0 0 0 0 27 30 1 0 0 0 0 29 28 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 29 32 1 0 0 0 0 33 34 1 0 0 0 0 33 35 2 0 0 0 0 34 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 33 15 1 0 0 0 0 44 43 1 0 0 0 0 45 44 1 0 0 0 0 46 45 1 0 0 0 0 47 46 1 0 0 0 0 48 47 1 0 0 0 0 49 48 1 0 0 0 0 50 49 1 0 0 0 0 51 50 1 0 0 0 0 M END > CHEBI:84719 > beta-D-glucosyl-N-octadecanoylsphingosine > A ?-D-glucosyl-N-acylsphingosine in which the acyl group is specified as octadecanoyl. > 3 > N-(octadecanoyl)-1-beta-glucosyl-sphing-4-enine; GlcCer(d18:1/18:0); C18 GlcCer; beta-D-glucosyl-N-stearoylsphingosine; beta-D-glucosyl-(1<->1)-N-octadecanoylsphing-4-enine > N-[(2S,3R,4E)-1-(beta-D-glucopyranosyloxy)-3-hydroxyoctadec-4-en-2-yl]octadecanamide > C42H81NO8 > 728.09440 > 727.59622 > 0 > CCCCCCCCCCCCCCCCCC(=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\CCCCCCCCCCCCC > InChI=1S/C42H81NO8/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-38(46)43-35(34-50-42-41(49)40(48)39(47)37(33-44)51-42)36(45)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h29,31,35-37,39-42,44-45,47-49H,3-28,30,32-34H2,1-2H3,(H,43,46)/b31-29+/t35-,36+,37+,39+,40-,41+,42+/m0/s1 > YMYQEDCYNANIPI-DYJXBSQNSA-N > LMSP0501AA05 $$$$