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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 2 0 0 0 0 29 27 1 0 0 0 0 35 3 1 4 0 0 0 36 34 1 0 0 0 0 37 28 1 0 0 0 0 37 36 1 0 0 0 0 38 30 1 0 0 0 0 39 31 1 0 0 0 0 40 32 1 1 0 0 0 41 33 1 1 0 0 0 42 29 1 0 0 0 0 43 38 1 0 0 0 0 44 39 1 0 0 0 0 45 40 1 0 0 0 0 47 46 1 0 0 0 0 49 41 1 0 0 0 0 49 46 1 0 0 0 0 50 43 1 0 0 0 0 50 44 1 0 0 0 0 51 45 1 0 0 0 0 51 48 1 0 0 0 0 52 47 1 0 0 0 0 53 48 1 0 0 0 0 55 30 1 0 0 0 0 55 54 1 6 0 0 0 56 35 2 0 0 0 0 43 56 1 6 0 0 0 36 57 1 1 0 0 0 57 42 2 0 0 0 0 58 31 1 0 0 0 0 59 32 1 0 0 0 0 60 33 1 0 0 0 0 61 35 1 0 0 0 0 37 62 1 6 0 0 0 38 63 1 1 0 0 0 39 64 1 6 0 0 0 42 65 1 4 0 0 0 44 66 1 6 0 0 0 45 67 1 6 0 0 0 46 68 1 1 0 0 0 47 69 1 6 0 0 0 48 70 1 1 0 0 0 71 54 2 0 0 0 0 72 54 1 0 0 0 0 73 34 1 0 0 0 0 52 73 1 1 0 0 0 74 40 1 0 0 0 0 74 53 1 0 0 0 0 75 41 1 0 0 0 0 75 52 1 0 0 0 0 49 76 1 1 0 0 0 53 76 1 6 0 0 0 77 50 1 0 0 0 0 77 55 1 0 0 0 0 51 78 1 1 0 0 0 55 78 1 1 0 0 0 79 26 1 0 0 0 0 80 28 1 0 0 0 0 36 81 1 1 0 0 0 37 82 1 6 0 0 0 38 83 1 6 0 0 0 39 84 1 6 0 0 0 40 85 1 1 0 0 0 41 86 1 6 0 0 0 43 87 1 1 0 0 0 44 88 1 1 0 0 0 45 89 1 1 0 0 0 46 90 1 6 0 0 0 47 91 1 1 0 0 0 48 92 1 6 0 0 0 49 93 1 1 0 0 0 94 50 1 0 0 0 0 51 95 1 1 0 0 0 52 96 1 6 0 0 0 53 97 1 1 0 0 0 M END > CHEM040595 > chemdb > [H]\C(CCCCCCCCCCCCC)=C(/[H])[C@@]([H])(O)[C@]([H])(CO[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(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)CCCCCCCCCCCCC > InChI=1S/C55H100N2O21/c1-4-6-8-10-12-14-16-17-19-20-22-24-26-28-37(62)36(57-42(65)29-27-25-23-21-18-15-13-11-9-7-5-2)34-73-52-47(69)46(68)49(41(33-60)75-52)76-53-48(70)51(45(67)40(32-59)74-53)78-55(54(71)72)30-38(63)43(56-35(3)61)50(77-55)44(66)39(64)31-58/h26,28,36-41,43-53,58-60,62-64,66-70H,4-25,27,29-34H2,1-3H3,(H,56,61)(H,57,65)(H,71,72)/b28-26-/t36-,37+,38-,39+,40+,41+,43+,44+,45-,46+,47+,48+,49+,50?,51-,52+,53-,55-/m0/s1 > SAQKJEIUERPJFX-WJDYWAKNSA-N > C55H100N2O21 > 1125.398 > 1124.681858248 > 23 > 178 > 126.1194227105502 > 0 > 14 > 0 > 0 > (2S,4S,5R)-2-{[(2S,3R,4S,5S,6R)-2-{[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-{[(2S,3R,4Z)-3-hydroxy-2-[(1-hydroxytetradecylidene)amino]octadec-4-en-1-yl]oxy}-2-(hydroxymethyl)oxan-3-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-4-hydroxy-5-[(1-hydroxyethylidene)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid > 3.38 > 5.075022491610912 > -4.50 > 1 > 3 > -1 > 5.349564611584274 > 3.0638042350267387 > 2.50895711689865 > 380.3900000000001 > 282.7149999999999 > 41 > 0 > 3.60e-02 g/l > (2S,4S,5R)-2-{[(2S,3R,4S,5S,6R)-2-{[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-{[(2S,3R,4Z)-3-hydroxy-2-[(1-hydroxytetradecylidene)amino]octadec-4-en-1-yl]oxy}-2-(hydroxymethyl)oxan-3-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-4-hydroxy-5-[(1-hydroxyethylidene)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid > 0 > Ganglioside GM3 (d18:1/14:0) $$$$