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6 0 0 0 85126 1 1 0 0 0 78127 1 6 0 0 0 86127 1 1 0 0 0 79128 1 1 0 0 0 83128 1 1 0 0 0 62129 1 1 0 0 0 89129 1 1 0 0 0 130 80 1 0 0 0 0 130 89 1 0 0 0 0 131 81 1 0 0 0 0 131 90 1 0 0 0 0 82132 1 1 0 0 0 90132 1 1 0 0 0 54133 1 1 0 0 0 55134 1 6 0 0 0 56135 1 6 0 0 0 57136 1 6 0 0 0 58137 1 6 0 0 0 59138 1 1 0 0 0 60139 1 6 0 0 0 61140 1 6 0 0 0 62141 1 1 0 0 0 63142 1 1 0 0 0 64143 1 6 0 0 0 66144 1 1 0 0 0 67145 1 1 0 0 0 68146 1 1 0 0 0 69147 1 6 0 0 0 70148 1 6 0 0 0 71149 1 1 0 0 0 72150 1 6 0 0 0 73151 1 1 0 0 0 74152 1 1 0 0 0 75153 1 6 0 0 0 76154 1 1 0 0 0 77155 1 6 0 0 0 78156 1 6 0 0 0 79157 1 6 0 0 0 158 80 1 0 0 0 0 159 81 1 0 0 0 0 82160 1 6 0 0 0 83161 1 6 0 0 0 84162 1 1 0 0 0 85163 1 6 0 0 0 86164 1 6 0 0 0 M END > CHEM040494 > chemdb > [H][C@@](O)(CO)[C@@]([H])(O)C1([H])O[C@@](C[C@]([H])(O)[C@@]1([H])N=C(C)O)(O[C@]([H])(CO)[C@@]([H])(O)C1([H])O[C@@](C[C@]([H])(O)[C@@]1([H])N=C(C)O)(O[C@]1([H])[C@@]([H])(O)[C@]([H])(O[C@]2([H])[C@@]([H])(CO)O[C@@]([H])(OC[C@]([H])(N=C(O)CCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(O)CCCCCCCCCCCCCCC)[C@]([H])(O)[C@@]2([H])O)O[C@]([H])(CO)[C@]1([H])O[C@]1([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]2([H])O)[C@@]1([H])CC(C)=O)C(O)=O)C(O)=O > InChI=1S/C90H161N3O39/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-28-30-32-34-36-38-40-65(107)93-55(56(103)39-37-35-33-31-29-27-19-17-15-13-11-9-7-2)50-121-84-75(115)73(113)78(63(48-98)124-84)127-86-76(116)82(79(64(49-99)125-86)128-83-54(41-51(3)100)77(70(110)61(46-96)122-83)126-85-74(114)72(112)69(109)60(45-95)123-85)132-90(88(119)120)43-58(105)67(92-53(5)102)81(131-90)71(111)62(47-97)129-89(87(117)118)42-57(104)66(91-52(4)101)80(130-89)68(108)59(106)44-94/h54-64,66-86,94-99,103-106,108-116H,6-50H2,1-5H3,(H,91,101)(H,92,102)(H,93,107)(H,117,118)(H,119,120)/t54-,55+,56-,57+,58+,59-,60-,61-,62-,63-,64-,66-,67-,68-,69+,70+,71-,72+,73-,74-,75-,76-,77-,78-,79+,80?,81?,82-,83+,84-,85+,86+,89-,90+/m1/s1 > DSPNGJHSAHRHHA-UHFFFAOYSA-N > C90H161N3O39 > 1909.26 > 1908.070722376 > 42 > 293 > 210.01263961719533 > 0 > 24 > 0 > 0 > (2S,4S,5R)-2-{[(1S,2R)-1-[(3R,4S,6S)-6-carboxy-6-{[(2S,3R,4R,5S,6R)-2-{[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-{[(2S,3R)-3-hydroxy-2-[(1-hydroxytricosylidene)amino]octadecyl]oxy}-2-(hydroxymethyl)oxan-3-yl]oxy}-3-hydroxy-5-{[(2S,3R,4R,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-(2-oxopropyl)-4-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-6-(hydroxymethyl)oxan-4-yl]oxy}-4-hydroxy-3-[(1-hydroxyethylidene)amino]oxan-2-yl]-1,3-dihydroxypropan-2-yl]oxy}-4-hydroxy-5-[(1-hydroxyethylidene)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid > 2.22 > 4.51648620426508 > -4.31 > 1 > 6 > -2 > 3.249099938041589 > 2.2559214034286774 > 2.7525158057434282 > 684.5700000000005 > 461.7109999999995 > 66 > 0 > 9.29e-02 g/l > (2S,4S,5R)-2-{[(1S,2R)-1-[(3R,4S,6S)-6-carboxy-6-{[(2S,3R,4R,5S,6R)-2-{[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-{[(2S,3R)-3-hydroxy-2-[(1-hydroxytricosylidene)amino]octadecyl]oxy}-2-(hydroxymethyl)oxan-3-yl]oxy}-3-hydroxy-5-{[(2S,3R,4R,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-(2-oxopropyl)-4-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-6-(hydroxymethyl)oxan-4-yl]oxy}-4-hydroxy-3-[(1-hydroxyethylidene)amino]oxan-2-yl]-1,3-dihydroxypropan-2-yl]oxy}-4-hydroxy-5-[(1-hydroxyethylidene)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid > 0 > Ganglioside GD1b (d18:0/23:0) $$$$