Mrv0541 02231220042D 81 83 0 0 0 0 999 V2000 -0.4125 15.0039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 14.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 13.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 12.8605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 12.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 11.4316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 10.7171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 10.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 9.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 8.5737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.7158 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 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 -0.4125 2.1434 0.0000 C 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 0.7145 0.0000 C 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 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 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 -3.5724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -2.8579 0.0000 N 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 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 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 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 0.0000 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 2.8579 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 2.0625 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 2.8579 0.0000 O 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 2.0625 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 4.2868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7125 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 2.8579 0.0000 O 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 4.5375 5.0013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7125 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 2.0625 6.4302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 5.0013 0.0000 O 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 -1.2375 3.5724 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 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 2.0625 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 -2.8579 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 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 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9500 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7750 0.0000 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 7.0125 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2500 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6625 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4875 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9000 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7250 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1375 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26 27 2 0 0 0 0 65 67 1 0 0 0 0 7 8 1 0 0 0 0 15 16 1 0 0 0 0 8 9 1 0 0 0 0 12 13 1 0 0 0 0 68 69 1 0 0 0 0 29 30 1 0 0 0 0 49 50 1 0 0 0 0 70 71 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 10 11 1 0 0 0 0 1 2 1 0 0 0 0 32 33 1 0 0 0 0 34 35 1 0 0 0 0 5 6 1 0 0 0 0 44 57 1 0 0 0 0 3 4 1 0 0 0 0 57 59 1 0 0 0 0 38 39 1 0 0 0 0 65 66 1 0 0 0 0 31 32 1 0 0 0 0 80 81 1 0 0 0 0 39 40 1 0 0 0 0 76 77 1 0 0 0 0 23 24 1 0 0 0 0 75 76 1 0 0 0 0 21 22 1 0 0 0 0 44 45 1 0 0 0 0 63 32 1 0 0 0 0 34 37 1 0 0 0 0 51 52 1 0 0 0 0 46 47 1 0 0 0 0 78 79 1 0 0 0 0 19 20 1 0 0 0 0 45 46 1 0 0 0 0 48 51 1 0 0 0 0 18 19 1 0 0 0 0 28 29 1 0 0 0 0 25 26 1 0 0 0 0 41 42 1 0 0 0 0 41 44 1 0 0 0 0 26 28 1 0 0 0 0 72 73 1 0 0 0 0 24 25 1 0 0 0 0 9 10 1 0 0 0 0 69 70 1 0 0 0 0 77 78 1 0 0 0 0 29 65 1 0 0 0 0 2 3 1 0 0 0 0 51 53 1 0 0 0 0 71 72 1 0 0 0 0 53 55 1 0 0 0 0 13 14 1 0 0 0 0 73 74 1 0 0 0 0 55 46 1 0 0 0 0 17 18 1 0 0 0 0 30 31 1 0 0 0 0 55 56 1 0 0 0 0 20 21 1 0 0 0 0 57 58 1 0 0 0 0 37 38 1 0 0 0 0 74 75 1 0 0 0 0 59 39 1 0 0 0 0 35 36 1 0 0 0 0 6 7 1 0 0 0 0 40 41 1 0 0 0 0 59 60 1 0 0 0 0 16 17 1 0 0 0 0 4 5 1 0 0 0 0 79 80 1 0 0 0 0 67 68 2 0 0 0 0 61 62 1 0 0 0 0 11 12 1 0 0 0 0 53 54 1 0 0 0 0 61 63 1 0 0 0 0 22 23 1 0 0 0 0 33 34 1 0 0 0 0 42 43 1 0 0 0 0 37 61 1 0 0 0 0 63 64 1 0 0 0 0 14 15 1 0 0 0 0 M END > BMDB0004884 > bmdb > CCCCCCCCCCCCCCCCCCCCCCCCCC(=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/C62H117NO18/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-50(68)63-45(46(67)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2)44-76-60-56(74)53(71)58(48(42-65)78-60)81-62-57(75)54(72)59(49(43-66)79-62)80-61-55(73)52(70)51(69)47(41-64)77-61/h37,39,45-49,51-62,64-67,69-75H,3-36,38,40-44H2,1-2H3,(H,63,68)/b39-37+ > YWHNDSBMLSKIRV-NHFVQZBWSA-N > C62H117NO18 > 1164.5883 > 1163.827065945 > 18 > 140.81109560193272 > 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]hexacosanamide > 6.20 > 9.998534856666668 > -5.11 > 1 > 3 > 0 > 12.210380380602713 > 11.763938370753882 > -3.6483775752014047 > 307.01 > 309.02560000000005 > 49 > 0 > 8.97e-03 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]hexacosanamide > 0 > BMDB0004884 > Trihexosylceramide (d18:1/26:1(17Z)) > 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->4Gal-beta1->4Glc-beta1->1'Cer(d18:1/26:1; gal-alpha1->4laccer; Ganglioside GL3; Gb3; Globo-N-triaosylceramide; Globotriaosylceramide; Globotriglycosylceramide; Globotriosylceramide; Shiga toxin receptor $$$$