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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 21 20 1 0 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 0 0 0 0 38 36 1 0 0 0 0 39 37 2 0 0 0 0 40 38 1 0 0 0 0 48 3 1 4 0 0 0 49 4 1 4 0 0 0 50 47 1 0 0 0 0 51 39 1 0 0 0 0 51 50 1 0 0 0 0 52 41 1 0 0 0 0 53 42 1 0 0 0 0 54 43 1 1 0 0 0 55 44 1 1 0 0 0 56 45 1 6 0 0 0 57 46 1 1 0 0 0 58 40 1 0 0 0 0 59 52 1 0 0 0 0 61 53 1 0 0 0 0 62 54 1 0 0 0 0 63 55 1 0 0 0 0 64 62 1 0 0 0 0 66 64 1 0 0 0 0 67 65 1 0 0 0 0 69 56 1 0 0 0 0 69 65 1 0 0 0 0 70 57 1 0 0 0 0 71 60 1 0 0 0 0 71 63 1 0 0 0 0 72 59 1 0 0 0 0 72 61 1 0 0 0 0 73 68 1 0 0 0 0 73 70 1 0 0 0 0 74 60 1 0 0 0 0 75 67 1 0 0 0 0 76 66 1 0 0 0 0 77 68 1 0 0 0 0 79 41 1 0 0 0 0 79 78 1 6 0 0 0 80 48 2 0 0 0 0 59 80 1 1 0 0 0 81 49 2 0 0 0 0 60 81 1 6 0 0 0 50 82 1 6 0 0 0 82 58 2 0 0 0 0 83 42 1 0 0 0 0 84 43 1 0 0 0 0 85 44 1 0 0 0 0 86 45 1 0 0 0 0 87 46 1 0 0 0 0 88 48 1 0 0 0 0 89 49 1 0 0 0 0 51 90 1 1 0 0 0 52 91 1 1 0 0 0 53 92 1 6 0 0 0 58 93 1 4 0 0 0 61 94 1 1 0 0 0 62 95 1 1 0 0 0 63 96 1 1 0 0 0 64 97 1 6 0 0 0 65 98 1 6 0 0 0 66 99 1 6 0 0 0 67100 1 6 0 0 0 68101 1 1 0 0 0 102 78 2 0 0 0 0 103 78 1 0 0 0 0 104 47 1 0 0 0 0 75104 1 6 0 0 0 105 55 1 0 0 0 0 105 74 1 0 0 0 0 106 54 1 0 0 0 0 106 76 1 0 0 0 0 107 56 1 0 0 0 0 107 75 1 0 0 0 0 108 57 1 0 0 0 0 108 77 1 0 0 0 0 69109 1 6 0 0 0 77109 1 1 0 0 0 70110 1 1 0 0 0 74110 1 1 0 0 0 71111 1 6 0 0 0 76111 1 1 0 0 0 112 72 1 0 0 0 0 112 79 1 0 0 0 0 73113 1 1 0 0 0 79113 1 1 0 0 0 114 19 1 0 0 0 0 115 20 1 0 0 0 0 116 37 1 0 0 0 0 117 39 1 0 0 0 0 50118 1 6 0 0 0 51119 1 1 0 0 0 52120 1 6 0 0 0 53121 1 6 0 0 0 54122 1 6 0 0 0 55123 1 6 0 0 0 56124 1 1 0 0 0 57125 1 6 0 0 0 59126 1 1 0 0 0 60127 1 1 0 0 0 61128 1 6 0 0 0 62129 1 6 0 0 0 63130 1 6 0 0 0 64131 1 6 0 0 0 65132 1 1 0 0 0 66133 1 1 0 0 0 67134 1 1 0 0 0 68135 1 1 0 0 0 69136 1 6 0 0 0 70137 1 6 0 0 0 71138 1 6 0 0 0 139 72 1 0 0 0 0 73140 1 6 0 0 0 74141 1 6 0 0 0 75142 1 1 0 0 0 76143 1 6 0 0 0 77144 1 6 0 0 0 M END > BMDB0004859 > bmdb > [H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCCCCCC(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@]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)[C@]([H])(O)C(\[H])=C(/[H])CCCCCCCCCCCCC > InChI=1S/C79H141N3O31/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-58(93)82-50(51(90)39-37-35-33-31-29-27-18-16-14-12-10-8-6-2)47-104-75-67(100)65(98)69(56(45-86)107-75)109-77-68(101)73(113-79(78(102)103)41-52(91)59(80-48(3)88)72(112-79)61(94)53(92)42-83)70(57(46-87)108-77)110-74-60(81-49(4)89)71(63(96)55(44-85)105-74)111-76-66(99)64(97)62(95)54(43-84)106-76/h19-20,37,39,50-57,59-77,83-87,90-92,94-101H,5-18,21-36,38,40-47H2,1-4H3,(H,80,88)(H,81,89)(H,82,93)(H,102,103)/b20-19-,39-37+/t50-,51+,52-,53-,54+,55+,56+,57+,59+,60+,61-,62-,63-,64-,65+,66+,67-,68+,69+,70-,71+,72?,73+,74-,75+,76-,77-,79-/m0/s1 > LBZARWBJHQZHMC-KKAAKZRUSA-N > C79H141N3O31 > 1628.987 > 1627.954904772 > 34 > 254 > 180.06613300480208 > 0 > 20 > 0 > 0 > (2S,4S,5R)-2-{[(2S,3R,4R,5S,6R)-2-{[(2R,3S,4R,5S,6R)-4,5-dihydroxy-6-{[(2S,3R,4E)-3-hydroxy-2-{[(15Z)-1-hydroxytetracos-15-en-1-ylidene]amino}octadec-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-(hydroxymethyl)oxan-4-yl]oxy}-4-hydroxy-5-[(1-hydroxyethylidene)amino]-6-[(1S,2S)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid > 3.60 > 6.146655829401765 > -4.73 > 1 > 5 > -1 > 5.094930441248309 > 2.98089859967372 > 2.3674625567751324 > 551.0500000000003 > 406.2911999999996 > 57 > 0 > 3.05e-02 g/l > (2S,4S,5R)-2-{[(2S,3R,4R,5S,6R)-2-{[(2R,3S,4R,5S,6R)-4,5-dihydroxy-6-{[(2S,3R,4E)-3-hydroxy-2-{[(15Z)-1-hydroxytetracos-15-en-1-ylidene]amino}octadec-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-(hydroxymethyl)oxan-4-yl]oxy}-4-hydroxy-5-[(1-hydroxyethylidene)amino]-6-[(1S,2S)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid > 0 > BMDB0004859 > Ganglioside GM1 (d18:1/24:1(15Z)) > 1-O-[O-(N-acetyl-a-neuraminosyl)-(2)-O-[O-b-D-galactopyranosyl-(1)-2-(acetylamino)-2-deoxy-b-D-galactopyranosyl-(1)]-O-b-D-galactopyranosyl-(1)-b-D-glucopyranosyl]-Ceramide; 1-O-[O-(N-acetyl-a-neuraminosyl)-(2->3)-O-[O-b-D galactopyranosyl-(1->3)-2-(acetylamino)-2-deoxy-b-D-galactopyranosyl-(1->4)]-O-b-D-galactopyranosyl-(1->4)-b-D-glucopyranosyl]-Ceramide; 1-O-[O-(N-acetyl-alpha-neuraminosyl)-(2)-O-[O-beta-delta-galactopyranosyl-(1)-2-(acetylamino)-2-deoxy-beta-delta-galactopyranosyl-(1)]-O-beta-delta-galactopyranosyl-(1)-beta-delta-glucopyranosyl]-Ceramide; 1-O-[O-(N-acetyl-alpha-neuraminosyl)-(2->3)-O-[O-beta-D galactopyranosyl-(1->3)-2-(acetylamino)-2-deoxy-beta-delta-galactopyranosyl-(1->4)]-O-beta-delta-galactopyranosyl-(1->4)-beta-delta-glucopyranosyl]-Ceramide; D-Galactosyl-1,3-beta-N-acetyl-D galactosaminyl-(N-acetylneuraminyl)-D-galactosyl-D-glucosyl-Nacylsphingosine; D-Galactosyl-N-acetyl-D galactosaminyl-(N-acetylneuraminyl)-D-galactosyl-D-glucosylceramide; delta-Galactosyl-1,3-beta-N-acetyl-D galactosaminyl-(N-acetylneuraminyl)-delta-galactosyl-delta-glucosyl-Nacylsphingosine; delta-Galactosyl-N-acetyl-D galactosaminyl-(N-acetylneuraminyl)-delta-galactosyl-delta-glucosylceramide; Gal-beta1->3GalNAc-beta1->4(Neu5Ac-alpha2->3)Gal-beta1->4Glc-beta1->1'Cer(d18:1/24:1; Gal-beta1->3GalNAc-beta1->4(Neu5Ac-alpha2>3)Gal-beta1->4Glc-beta1->1'Cer; Ganglioside GM1; GM1; GM1a; II3NeuAcGgOse4Cer; N-acetyl-Ganglioside GM1; N-Acetylganglioside GM1; NeuAc-GM1a $$$$