Mrv0541 02231220042D 73 75 0 0 0 0 999 V2000 -5.3625 -6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9500 -5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1250 -5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7125 -5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8875 -5.0013 0.0000 C 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 -1.6500 -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 -0.4125 -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 0.8250 -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 2.0625 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7125 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 0.7145 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 0.8250 0.0000 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 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 -0.4125 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 -1.6500 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2375 2.1434 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 -1.2375 3.5724 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 -2.4750 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8875 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 -1.6500 4.2868 0.0000 O 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 -0.4125 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.2868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2375 6.4302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4750 5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8875 6.4302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8875 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7125 5.0013 0.0000 O 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 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8875 0.7145 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 -0.4125 2.1434 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 1.2375 2.1434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7125 0.7145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9500 0.0000 0.0000 O 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 5.7750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1875 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0125 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4250 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2500 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6625 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4875 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9000 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7250 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1375 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9625 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3750 5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2000 5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6125 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4375 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8500 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 72 73 1 0 0 0 0 26 27 1 0 0 0 0 40 42 1 0 0 0 0 54 55 1 0 0 0 0 37 40 1 0 0 0 0 3 4 1 0 0 0 0 37 38 1 0 0 0 0 55 57 1 0 0 0 0 10 11 1 0 0 0 0 58 59 1 0 0 0 0 30 33 1 0 0 0 0 19 20 1 0 0 0 0 40 41 1 0 0 0 0 16 17 1 0 0 0 0 60 61 1 0 0 0 0 7 8 1 0 0 0 0 42 43 1 0 0 0 0 4 5 1 0 0 0 0 44 35 1 0 0 0 0 12 13 1 0 0 0 0 64 65 2 0 0 0 0 44 45 1 0 0 0 0 62 63 1 0 0 0 0 30 31 1 0 0 0 0 13 14 1 0 0 0 0 46 47 1 0 0 0 0 27 28 1 0 0 0 0 8 9 1 0 0 0 0 48 28 1 0 0 0 0 52 53 1 0 0 0 0 21 22 1 0 0 0 0 23 24 1 0 0 0 0 2 3 1 0 0 0 0 69 70 1 0 0 0 0 26 50 1 0 0 0 0 29 30 1 0 0 0 0 38 39 1 0 0 0 0 71 72 1 0 0 0 0 50 52 1 0 0 0 0 36 37 1 0 0 0 0 11 12 1 0 0 0 0 18 54 1 0 0 0 0 28 29 1 0 0 0 0 55 56 2 0 0 0 0 31 32 1 0 0 0 0 35 36 1 0 0 0 0 9 10 1 0 0 0 0 15 16 1 0 0 0 0 20 21 1 0 0 0 0 59 60 1 0 0 0 0 23 26 1 0 0 0 0 18 19 1 0 0 0 0 61 62 1 0 0 0 0 24 25 1 0 0 0 0 42 44 1 0 0 0 0 5 6 1 0 0 0 0 66 67 1 0 0 0 0 63 64 1 0 0 0 0 16 18 1 0 0 0 0 33 34 1 0 0 0 0 33 46 1 0 0 0 0 65 66 1 0 0 0 0 22 23 1 0 0 0 0 46 48 1 0 0 0 0 67 68 1 0 0 0 0 6 7 1 0 0 0 0 14 15 2 0 0 0 0 57 58 1 0 0 0 0 68 69 1 0 0 0 0 48 49 1 0 0 0 0 34 35 1 0 0 0 0 70 71 1 0 0 0 0 50 51 1 0 0 0 0 1 2 1 0 0 0 0 52 21 1 0 0 0 0 M END > BMDB0004878 > bmdb > CCCCCCCCCCCCC\C=C\C(O)C(COC1OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1O)NC(=O)CCCCCCC\C=C\CCCCCCCC > InChI=1S/C54H99NO18/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-42(60)55-37(38(59)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)36-68-52-48(66)45(63)50(40(34-57)70-52)73-54-49(67)46(64)51(41(35-58)71-54)72-53-47(65)44(62)43(61)39(33-56)69-53/h17-18,29,31,37-41,43-54,56-59,61-67H,3-16,19-28,30,32-36H2,1-2H3,(H,55,60)/b18-17+,31-29+ > XRPQSEBNLXORQZ-LSUSWXEESA-N > C54H99NO18 > 1050.3598 > 1049.686215369 > 18 > 122.21321682666078 > 0 > 12 > 0 > 0 > (9E)-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]octadec-9-enamide > 4.93 > 6.080063880000001 > -4.73 > 1 > 3 > 0 > 12.210792537984743 > 11.764188152989464 > -3.6483775752014047 > 307.00999999999993 > 273.3342000000001 > 40 > 0 > 1.94e-02 g/l > (9E)-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]octadec-9-enamide > 0 > BMDB0004878 > Trihexosylceramide (d18:1/9Z-18:1) > 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; Shiga toxin receptor $$$$