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17 1 0 0 0 0 20 18 1 0 0 0 0 21 19 1 0 0 0 0 22 20 1 0 0 0 0 23 22 1 0 0 0 0 24 21 1 0 0 0 0 25 23 1 0 0 0 0 26 24 1 0 0 0 0 27 25 1 0 0 0 0 28 26 1 0 0 0 0 29 27 1 0 0 0 0 30 28 1 0 0 0 0 31 29 1 0 0 0 0 32 30 1 0 0 0 0 33 31 1 0 0 0 0 34 32 1 0 0 0 0 35 33 1 0 0 0 0 36 34 1 0 0 0 0 37 35 1 0 0 0 0 38 36 2 0 0 0 0 39 37 1 0 0 0 0 46 3 1 6 0 0 0 47 4 1 4 0 0 0 48 5 1 4 0 0 0 49 45 1 0 0 0 0 50 38 1 0 0 0 0 50 49 1 0 0 0 0 51 40 1 0 0 0 0 52 41 1 0 0 0 0 53 42 1 1 0 0 0 54 43 1 6 0 0 0 55 44 1 1 0 0 0 56 39 1 0 0 0 0 57 51 1 0 0 0 0 59 52 1 0 0 0 0 60 53 1 0 0 0 0 61 54 1 0 0 0 0 62 60 1 0 0 0 0 64 62 1 0 0 0 0 65 63 1 0 0 0 0 67 46 1 0 0 0 0 68 55 1 0 0 0 0 68 63 1 0 0 0 0 69 58 1 0 0 0 0 69 61 1 0 0 0 0 70 57 1 0 0 0 0 70 59 1 0 0 0 0 71 66 1 0 0 0 0 71 67 1 0 0 0 0 72 58 1 0 0 0 0 73 65 1 0 0 0 0 74 64 1 0 0 0 0 75 66 1 0 0 0 0 77 40 1 0 0 0 0 77 76 1 1 0 0 0 78 47 2 0 0 0 0 57 78 1 6 0 0 0 79 48 2 0 0 0 0 58 79 1 6 0 0 0 49 80 1 6 0 0 0 80 56 2 0 0 0 0 81 41 1 0 0 0 0 82 42 1 0 0 0 0 83 43 1 0 0 0 0 84 44 1 0 0 0 0 85 47 1 0 0 0 0 86 48 1 0 0 0 0 50 87 1 1 0 0 0 51 88 1 6 0 0 0 52 89 1 6 0 0 0 56 90 1 4 0 0 0 59 91 1 1 0 0 0 60 92 1 1 0 0 0 61 93 1 1 0 0 0 62 94 1 6 0 0 0 63 95 1 1 0 0 0 64 96 1 6 0 0 0 65 97 1 6 0 0 0 66 98 1 6 0 0 0 99 76 2 0 0 0 0 100 76 1 0 0 0 0 101 45 1 0 0 0 0 73101 1 1 0 0 0 102 46 1 0 0 0 0 102 75 1 0 0 0 0 103 54 1 0 0 0 0 103 72 1 0 0 0 0 104 53 1 0 0 0 0 104 74 1 0 0 0 0 105 55 1 0 0 0 0 105 73 1 0 0 0 0 67106 1 6 0 0 0 72106 1 1 0 0 0 68107 1 1 0 0 0 75107 1 6 0 0 0 69108 1 1 0 0 0 74108 1 1 0 0 0 109 70 1 0 0 0 0 109 77 1 0 0 0 0 71110 1 6 0 0 0 77110 1 6 0 0 0 111 36 1 0 0 0 0 112 38 1 0 0 0 0 46113 1 1 0 0 0 49114 1 6 0 0 0 50115 1 1 0 0 0 51116 1 1 0 0 0 52117 1 6 0 0 0 53118 1 6 0 0 0 54119 1 6 0 0 0 55120 1 6 0 0 0 57121 1 6 0 0 0 58122 1 1 0 0 0 59123 1 6 0 0 0 60124 1 6 0 0 0 61125 1 6 0 0 0 62126 1 6 0 0 0 63127 1 6 0 0 0 64128 1 1 0 0 0 65129 1 1 0 0 0 66130 1 6 0 0 0 67131 1 1 0 0 0 68132 1 1 0 0 0 69133 1 6 0 0 0 134 70 1 0 0 0 0 71135 1 1 0 0 0 72136 1 6 0 0 0 73137 1 6 0 0 0 74138 1 6 0 0 0 75139 1 1 0 0 0 M END > CHEM034966 > chemdb > [H]\C(CCCCCCCCCCCCCCC)=C(/[H])[C@]([H])(O)[C@@]([H])(CO[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(C)[C@]([H])(O[C@]3([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O[C@]4([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]4([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])(O)CO)C(O)=O)[C@@]2([H])O)[C@]([H])(O)[C@@]1([H])O)N=C(O)CCCCCCCCCCCCCCCCCCC > InChI=1S/C77H139N3O30/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-56(90)80-49(50(87)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2)45-101-73-65(97)63(95)68(55(44-84)105-73)107-75-66(98)71(110-77(76(99)100)40-51(88)57(78-47(4)85)70(109-77)59(91)52(89)41-81)67(46(3)102-75)106-72-58(79-48(5)86)69(61(93)54(43-83)103-72)108-74-64(96)62(94)60(92)53(42-82)104-74/h36,38,46,49-55,57-75,81-84,87-89,91-98H,6-35,37,39-45H2,1-5H3,(H,78,85)(H,79,86)(H,80,90)(H,99,100)/b38-36-/t46-,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+,75+,77+/m1/s1 > WHRNXVBQVRYAKH-LUFZUXIRSA-N > C77H139N3O30 > 1586.95 > 1585.944340088 > 33 > 249 > 177.5814105513271 > 0 > 19 > 0 > 0 > (2S,4S,5R)-2-{[(2S,3R,4R,5S,6R)-2-{[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-{[(2R,3S,4Z)-3-hydroxy-2-[(1-hydroxyicosylidene)amino]icos-4-en-1-yl]oxy}-2-(hydroxymethyl)oxan-3-yl]oxy}-3-hydroxy-5-{[(2S,3R,4R,5R,6R)-5-hydroxy-3-[(1-hydroxyethylidene)amino]-6-(hydroxymethyl)-4-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-6-methyloxan-4-yl]oxy}-4-hydroxy-5-[(1-hydroxyethylidene)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid > 3.77 > 6.685590668529684 > -4.73 > 1 > 5 > -1 > 5.108202258732679 > 2.998948295345057 > 2.3797940930387838 > 530.8200000000003 > 394.4288999999996 > 55 > 0 > 2.98e-02 g/l > (2S,4S,5R)-2-{[(2S,3R,4R,5S,6R)-2-{[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-{[(2R,3S,4Z)-3-hydroxy-2-[(1-hydroxyicosylidene)amino]icos-4-en-1-yl]oxy}-2-(hydroxymethyl)oxan-3-yl]oxy}-3-hydroxy-5-{[(2S,3R,4R,5R,6R)-5-hydroxy-3-[(1-hydroxyethylidene)amino]-6-(hydroxymethyl)-4-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-6-methyloxan-4-yl]oxy}-4-hydroxy-5-[(1-hydroxyethylidene)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid > 0 > N-Glycoloylganglioside GM1 $$$$