Mrv0541 02231220042D 71 73 0 0 0 0 999 V2000 1.2375 -6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 -5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 5.0013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.2868 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 2.1434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2375 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 -1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -3.5724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2375 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 -2.8579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4750 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8875 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4750 -1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8875 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7125 -3.5724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4750 -4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8875 -5.0013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 -4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2375 -5.0013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 -3.5724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 -2.1434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2375 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2375 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 4.2868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4750 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8875 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7125 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9500 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3625 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1875 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8375 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9000 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3125 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5 6 1 0 0 0 0 4 5 1 0 0 0 0 27 28 1 0 0 0 0 47 49 1 0 0 0 0 10 11 1 0 0 0 0 30 31 1 0 0 0 0 29 30 1 0 0 0 0 70 71 1 0 0 0 0 27 51 1 0 0 0 0 41 43 1 0 0 0 0 31 32 1 0 0 0 0 65 66 1 0 0 0 0 61 62 1 0 0 0 0 51 53 1 0 0 0 0 31 34 1 0 0 0 0 12 13 1 0 0 0 0 53 54 1 0 0 0 0 2 3 1 0 0 0 0 35 36 1 0 0 0 0 18 19 1 0 0 0 0 20 21 1 0 0 0 0 9 10 1 0 0 0 0 55 57 1 0 0 0 0 15 16 1 0 0 0 0 58 59 1 0 0 0 0 49 29 1 0 0 0 0 39 40 1 0 0 0 0 13 14 1 0 0 0 0 19 20 1 0 0 0 0 60 61 1 0 0 0 0 41 42 1 0 0 0 0 34 47 1 0 0 0 0 43 45 1 0 0 0 0 23 24 1 0 0 0 0 7 8 1 0 0 0 0 22 23 1 0 0 0 0 63 64 1 0 0 0 0 45 36 1 0 0 0 0 6 7 1 0 0 0 0 24 25 1 0 0 0 0 28 29 1 0 0 0 0 45 46 1 0 0 0 0 11 12 1 0 0 0 0 16 17 2 0 0 0 0 24 27 1 0 0 0 0 47 48 1 0 0 0 0 67 68 1 0 0 0 0 16 18 1 0 0 0 0 69 70 1 0 0 0 0 49 50 1 0 0 0 0 8 9 1 0 0 0 0 25 26 1 0 0 0 0 51 52 1 0 0 0 0 32 33 1 0 0 0 0 53 22 1 0 0 0 0 34 35 1 0 0 0 0 55 56 1 0 0 0 0 36 37 1 0 0 0 0 57 58 2 0 0 0 0 38 39 1 0 0 0 0 43 44 1 0 0 0 0 21 22 1 0 0 0 0 19 55 1 0 0 0 0 59 60 1 0 0 0 0 66 67 1 0 0 0 0 3 4 1 0 0 0 0 38 41 1 0 0 0 0 62 63 1 0 0 0 0 37 38 1 0 0 0 0 1 2 1 0 0 0 0 64 65 1 0 0 0 0 14 15 1 0 0 0 0 68 69 1 0 0 0 0 M END > BMDB0004879 > bmdb > CCCCCCCCCCCCCCCC(=O)NC(COC1OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1O)C(O)\C=C\CCCCCCCCCCCCC > InChI=1S/C52H97NO18/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(57)35(53-40(58)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)34-66-50-46(64)43(61)48(38(32-55)68-50)71-52-47(65)44(62)49(39(33-56)69-52)70-51-45(63)42(60)41(59)37(31-54)67-51/h27,29,35-39,41-52,54-57,59-65H,3-26,28,30-34H2,1-2H3,(H,53,58)/b29-27+ > MGOOTGNGBOPVIV-ORIPQNMZSA-N > C52H97NO18 > 1024.3225 > 1023.670565305 > 18 > 119.34991541754133 > 0 > 12 > 0 > 0 > N-[(4E)-1-[(5-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-3-hydroxyoctadec-4-en-2-yl]hexadecanamide > 4.41 > 5.552848206666666 > -4.59 > 1 > 3 > 0 > 12.210380380602713 > 11.763938370753882 > -3.6483775752014047 > 307.01 > 263.01560000000006 > 39 > 0 > 2.63e-02 g/l > N-[(4E)-1-[(5-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-3-hydroxyoctadec-4-en-2-yl]hexadecanamide > 0 > BMDB0004879 > Trihexosylceramide (d18:1/16:0) > Ceramide trihexoside; D-galactosyl-1,4-D-galactosyl-1,4-D-glucosylceramide; delta-galactosyl-1,4-delta-galactosyl-1,4-delta-glucosylceramide; Fabry glycolipid; Gal-alpha1->4Gal-beta1->4Glc-beta1->1'Cer; gal-alpha1->4laccer; Ganglioside GL3; Gb3; Globo-N-triaosylceramide; Globotriaosylceramide; Globotriglycosylceramide; Globotriosylceramide $$$$