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61 1 0 0 0 0 65 64 1 0 0 0 0 67 54 1 0 0 0 0 67 64 1 0 0 0 0 68 55 1 0 0 0 0 69 57 1 0 0 0 0 69 60 1 0 0 0 0 70 58 1 0 0 0 0 70 62 1 0 0 0 0 71 66 1 0 0 0 0 71 68 1 0 0 0 0 72 59 1 0 0 0 0 73 65 1 0 0 0 0 74 66 1 0 0 0 0 77 36 1 0 0 0 0 77 75 1 6 0 0 0 78 37 1 0 0 0 0 78 76 1 6 0 0 0 79 44 2 0 0 0 0 57 79 1 1 0 0 0 80 45 2 0 0 0 0 58 80 1 1 0 0 0 81 46 2 0 0 0 0 59 81 1 6 0 0 0 47 82 1 6 0 0 0 82 56 2 0 0 0 0 83 38 1 0 0 0 0 84 39 1 0 0 0 0 85 40 1 0 0 0 0 86 41 1 0 0 0 0 87 42 1 0 0 0 0 88 44 1 0 0 0 0 89 45 1 0 0 0 0 90 46 1 0 0 0 0 48 91 1 6 0 0 0 49 92 1 1 0 0 0 50 93 1 1 0 0 0 51 94 1 1 0 0 0 56 95 1 4 0 0 0 60 96 1 6 0 0 0 61 97 1 1 0 0 0 62 98 1 6 0 0 0 63 99 1 6 0 0 0 64100 1 6 0 0 0 65101 1 1 0 0 0 66102 1 1 0 0 0 103 75 2 0 0 0 0 104 75 1 0 0 0 0 105 76 2 0 0 0 0 106 76 1 0 0 0 0 107 43 1 0 0 0 0 73107 1 6 0 0 0 108 52 1 0 0 0 0 108 72 1 0 0 0 0 109 54 1 0 0 0 0 109 73 1 0 0 0 0 110 55 1 0 0 0 0 110 74 1 0 0 0 0 67111 1 6 0 0 0 74111 1 1 0 0 0 68112 1 1 0 0 0 72112 1 1 0 0 0 53113 1 1 0 0 0 77113 1 1 0 0 0 114 69 1 0 0 0 0 114 77 1 0 0 0 0 115 70 1 0 0 0 0 115 78 1 0 0 0 0 71116 1 1 0 0 0 78116 1 1 0 0 0 117 20 1 0 0 0 0 118 21 1 0 0 0 0 119 32 1 0 0 0 0 120 34 1 0 0 0 0 47121 1 6 0 0 0 48122 1 1 0 0 0 49123 1 6 0 0 0 50124 1 6 0 0 0 51125 1 1 0 0 0 52126 1 6 0 0 0 53127 1 1 0 0 0 54128 1 1 0 0 0 55129 1 6 0 0 0 57130 1 1 0 0 0 58131 1 1 0 0 0 59132 1 1 0 0 0 60133 1 1 0 0 0 61134 1 6 0 0 0 62135 1 1 0 0 0 63136 1 6 0 0 0 64137 1 1 0 0 0 65138 1 6 0 0 0 66139 1 1 0 0 0 67140 1 6 0 0 0 68141 1 6 0 0 0 142 69 1 0 0 0 0 143 70 1 0 0 0 0 71144 1 6 0 0 0 72145 1 6 0 0 0 73146 1 1 0 0 0 74147 1 6 0 0 0 M END > CHEM035785 > chemdb > [H]\C(CCCCCCCC)=C(\[H])CCCCCCCC(O)=N[C@@]([H])(CO[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O[C@]3([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]3([H])N=C(C)O)[C@]([H])(O[C@@]3(C[C@]([H])(O)[C@@]([H])(N=C(C)O)C([H])(O3)[C@]([H])(O)[C@@]([H])(CO)O[C@@]3(C[C@]([H])(O)[C@@]([H])(N=C(C)O)C([H])(O3)[C@]([H])(O)[C@]([H])(O)CO)C(O)=O)C(O)=O)[C@@]2([H])O)[C@]([H])(O)[C@@]1([H])O)[C@]([H])(O)C([H])=C([H])CCCCCCCCCCCCC > InChI=1S/C78H136N4O34/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-56(95)82-47(48(91)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2)43-107-73-65(101)64(100)67(54(41-86)109-73)111-74-66(102)71(68(55(42-87)110-74)112-72-59(81-46(5)90)63(99)61(97)52(39-84)108-72)116-78(76(105)106)37-50(93)58(80-45(4)89)70(115-78)62(98)53(40-85)113-77(75(103)104)36-49(92)57(79-44(3)88)69(114-77)60(96)51(94)38-83/h20-21,32,34,47-55,57-74,83-87,91-94,96-102H,6-19,22-31,33,35-43H2,1-5H3,(H,79,88)(H,80,89)(H,81,90)(H,82,95)(H,103,104)(H,105,106)/b21-20+,34-32+/t47-,48+,49-,50-,51+,52+,53+,54+,55+,57+,58+,59+,60+,61-,62+,63+,64+,65+,66+,67+,68-,69?,70?,71+,72-,73+,74-,77+,78-/m0/s1 > RXBMZCCWNCEMOZ-MVRMNONDSA-N > C78H136N4O34 > 1673.94 > 1672.903597475 > 38 > 252 > 179.638236671725 > 0 > 22 > 0 > 0 > (2S,4S,5R)-2-{[(1S,2R)-1-[(3R,4S,6S)-6-carboxy-6-{[(2R,3S,4R,5R,6S)-3-{[(2S,3R,4R,5R,6R)-4,5-dihydroxy-3-[(1-hydroxyethylidene)amino]-6-(hydroxymethyl)oxan-2-yl]oxy}-6-{[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-{[(2S,3R,4E)-3-hydroxy-2-{[(9E)-1-hydroxyoctadec-9-en-1-ylidene]amino}octadec-4-en-1-yl]oxy}-2-(hydroxymethyl)oxan-3-yl]oxy}-5-hydroxy-2-(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 > 2.25 > 3.400717711319338 > -4.43 > 1 > 5 > -2 > 3.1945054012626013 > 2.688759568011194 > 2.1921588556565554 > 620.9400000000003 > 407.06489999999957 > 55 > 0 > 6.24e-02 g/l > (2S,4S,5R)-2-{[(1S,2R)-1-[(3R,4S,6S)-6-carboxy-6-{[(2R,3S,4R,5R,6S)-3-{[(2S,3R,4R,5R,6R)-4,5-dihydroxy-3-[(1-hydroxyethylidene)amino]-6-(hydroxymethyl)oxan-2-yl]oxy}-6-{[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-{[(2S,3R,4E)-3-hydroxy-2-{[(9E)-1-hydroxyoctadec-9-en-1-ylidene]amino}octadec-4-en-1-yl]oxy}-2-(hydroxymethyl)oxan-3-yl]oxy}-5-hydroxy-2-(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 GD2 (d18:1/9Z-18:1) $$$$