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0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 5 1 0 0 0 0 8 6 1 0 0 0 0 9 7 1 0 0 0 0 10 8 1 0 0 0 0 11 9 1 0 0 0 0 12 10 1 0 0 0 0 13 11 1 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 16 14 1 0 0 0 0 17 15 1 0 0 0 0 18 16 1 0 0 0 0 19 17 1 0 0 0 0 20 19 2 0 0 0 0 20 21 1 4 0 0 0 22 21 1 0 0 0 0 23 22 1 0 0 0 0 24 23 1 0 0 0 0 25 24 1 0 0 0 0 26 25 1 0 0 0 0 27 18 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 4 0 0 0 38 36 1 0 0 0 0 39 37 2 0 0 0 0 40 38 1 0 0 0 0 47 3 1 4 0 0 0 48 4 1 4 0 0 0 49 46 1 0 0 0 0 50 39 1 0 0 0 0 50 49 1 0 0 0 0 51 41 1 0 0 0 0 52 42 1 0 0 0 0 53 43 1 1 0 0 0 54 44 1 6 0 0 0 55 45 1 1 0 0 0 56 40 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 58 1 0 0 0 0 61 60 1 0 0 0 0 63 62 1 0 0 0 0 65 54 1 0 0 0 0 65 62 1 0 0 0 0 66 55 1 0 0 0 0 67 57 1 0 0 0 0 67 59 1 0 0 0 0 68 64 1 0 0 0 0 68 66 1 0 0 0 0 69 58 1 0 0 0 0 70 63 1 0 0 0 0 71 64 1 0 0 0 0 73 41 1 0 0 0 0 73 72 1 6 0 0 0 74 47 2 0 0 0 0 57 74 1 1 0 0 0 75 48 2 0 0 0 0 58 75 1 6 0 0 0 49 76 1 6 0 0 0 76 56 2 0 0 0 0 77 42 1 0 0 0 0 78 43 1 0 0 0 0 79 44 1 0 0 0 0 80 45 1 0 0 0 0 81 47 1 0 0 0 0 82 48 1 0 0 0 0 50 83 1 1 0 0 0 51 84 1 1 0 0 0 52 85 1 1 0 0 0 56 86 1 4 0 0 0 59 87 1 6 0 0 0 60 88 1 1 0 0 0 61 89 1 6 0 0 0 62 90 1 6 0 0 0 63 91 1 1 0 0 0 64 92 1 1 0 0 0 93 72 2 0 0 0 0 94 72 1 0 0 0 0 95 46 1 0 0 0 0 70 95 1 6 0 0 0 96 53 1 0 0 0 0 96 69 1 0 0 0 0 97 54 1 0 0 0 0 97 70 1 0 0 0 0 98 55 1 0 0 0 0 98 71 1 0 0 0 0 65 99 1 6 0 0 0 71 99 1 1 0 0 0 66100 1 1 0 0 0 69100 1 1 0 0 0 101 67 1 0 0 0 0 101 73 1 0 0 0 0 68102 1 1 0 0 0 73102 1 1 0 0 0 49103 1 6 0 0 0 50104 1 1 0 0 0 51105 1 6 0 0 0 52106 1 1 0 0 0 53107 1 6 0 0 0 54108 1 1 0 0 0 55109 1 6 0 0 0 57110 1 1 0 0 0 58111 1 1 0 0 0 59112 1 1 0 0 0 60113 1 6 0 0 0 61114 1 6 0 0 0 62115 1 1 0 0 0 63116 1 6 0 0 0 64117 1 1 0 0 0 65118 1 6 0 0 0 66119 1 6 0 0 0 120 67 1 0 0 0 0 68121 1 6 0 0 0 69122 1 6 0 0 0 70123 1 1 0 0 0 71124 1 6 0 0 0 M END > FDB023530 > foodb > [H][C@@](O)(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)CCCCCCCCCCCCCC=CCCCCCCCC)[C@]([H])(O)C=CCCCCCCCCCCCCC)[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@@]1([H])N=C(C)O)C(O)=O > InChI=1S/C73H131N3O26/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-56(86)76-49(50(83)39-37-35-33-31-29-27-18-16-14-12-10-8-6-2)46-95-70-63(91)62(90)65(54(44-79)97-70)99-71-64(92)68(66(55(45-80)98-71)100-69-58(75-48(4)82)61(89)60(88)53(43-78)96-69)102-73(72(93)94)41-51(84)57(74-47(3)81)67(101-73)59(87)52(85)42-77/h19-20,37,39,49-55,57-71,77-80,83-85,87-92H,5-18,21-36,38,40-46H2,1-4H3,(H,74,81)(H,75,82)(H,76,86)(H,93,94)/t49-,50+,51-,52+,53+,54+,55+,57+,58+,59+,60-,61+,62+,63+,64+,65+,66-,67?,68+,69-,70+,71-,73-/m0/s1 > SKEFIZUMXOYBHZ-JZKOJLBUSA-N > C73H131N3O26 > 1466.8257 > 1465.902081379 > 29 > 233 > 165.02920054348795 > 0 > 17 > 0 > 0 > (2S,4S,5R)-2-{[(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)-3-hydroxy-2-[(1-hydroxytetracos-15-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-5-[(1-hydroxyethylidene)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid > 4.35 > 7.878731261083671 > -4.91 > 1 > 4 > -1 > 5.112727536318108 > 3.0173193018539797 > 2.4704918919817116 > 471.9000000000002 > 373.87789999999967 > 54 > 0 > 1.82e-02 g/l > (2S,4S,5R)-2-{[(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)-3-hydroxy-2-[(1-hydroxytetracos-15-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-5-[(1-hydroxyethylidene)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid > 0 > FDB023530 > Ganglioside GM2 (d18:1/24:1(15Z)) $$$$