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0 0 15.7184 9.9000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5749 11.1375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0039 8.6625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8605 12.3750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0039 13.6125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4766 9.9292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1460 11.1375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5749 13.6125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4328 8.6625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0039 16.0875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7625 10.1692 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 18 1 0 0 0 0 21 19 1 0 0 0 0 22 20 1 0 0 0 0 23 21 1 0 0 0 0 24 22 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 2 0 0 0 0 32 30 1 0 0 0 0 40 3 1 4 0 0 0 41 4 1 4 0 0 0 42 39 1 0 0 0 0 43 31 1 0 0 0 0 43 42 1 0 0 0 0 44 33 1 0 0 0 0 45 34 1 0 0 0 0 46 35 1 1 0 0 0 47 36 1 1 0 0 0 48 37 1 6 0 0 0 49 38 1 1 0 0 0 50 32 1 0 0 0 0 51 44 1 0 0 0 0 53 45 1 0 0 0 0 54 46 1 0 0 0 0 55 47 1 0 0 0 0 56 54 1 0 0 0 0 58 56 1 0 0 0 0 59 57 1 0 0 0 0 61 48 1 0 0 0 0 61 57 1 0 0 0 0 62 49 1 0 0 0 0 63 52 1 0 0 0 0 63 55 1 0 0 0 0 64 51 1 0 0 0 0 64 53 1 0 0 0 0 65 60 1 0 0 0 0 65 62 1 0 0 0 0 66 52 1 0 0 0 0 67 59 1 0 0 0 0 68 58 1 0 0 0 0 69 60 1 0 0 0 0 71 33 1 0 0 0 0 71 70 1 6 0 0 0 72 40 2 0 0 0 0 51 72 1 1 0 0 0 73 41 2 0 0 0 0 52 73 1 6 0 0 0 42 74 1 6 0 0 0 74 50 2 0 0 0 0 75 34 1 0 0 0 0 76 35 1 0 0 0 0 77 36 1 0 0 0 0 78 37 1 0 0 0 0 79 38 1 0 0 0 0 80 40 1 0 0 0 0 81 41 1 0 0 0 0 43 82 1 1 0 0 0 44 83 1 1 0 0 0 45 84 1 6 0 0 0 50 85 1 4 0 0 0 53 86 1 1 0 0 0 54 87 1 1 0 0 0 55 88 1 1 0 0 0 56 89 1 6 0 0 0 57 90 1 6 0 0 0 58 91 1 6 0 0 0 59 92 1 6 0 0 0 60 93 1 1 0 0 0 94 70 2 0 0 0 0 95 70 1 0 0 0 0 96 39 1 0 0 0 0 67 96 1 6 0 0 0 97 47 1 0 0 0 0 97 66 1 0 0 0 0 98 46 1 0 0 0 0 98 68 1 0 0 0 0 99 48 1 0 0 0 0 99 67 1 0 0 0 0 100 49 1 0 0 0 0 100 69 1 0 0 0 0 61101 1 6 0 0 0 69101 1 1 0 0 0 62102 1 1 0 0 0 66102 1 1 0 0 0 63103 1 6 0 0 0 68103 1 1 0 0 0 104 64 1 0 0 0 0 104 71 1 0 0 0 0 65105 1 1 0 0 0 71105 1 1 0 0 0 106 29 1 0 0 0 0 107 31 1 0 0 0 0 42108 1 6 0 0 0 43109 1 1 0 0 0 44110 1 6 0 0 0 45111 1 6 0 0 0 46112 1 6 0 0 0 47113 1 6 0 0 0 48114 1 1 0 0 0 49115 1 6 0 0 0 51116 1 1 0 0 0 52117 1 1 0 0 0 53118 1 6 0 0 0 54119 1 6 0 0 0 55120 1 6 0 0 0 56121 1 6 0 0 0 57122 1 1 0 0 0 58123 1 1 0 0 0 59124 1 1 0 0 0 60125 1 1 0 0 0 61126 1 6 0 0 0 62127 1 6 0 0 0 63128 1 6 0 0 0 129 64 1 0 0 0 0 65130 1 6 0 0 0 66131 1 6 0 0 0 67132 1 1 0 0 0 68133 1 6 0 0 0 69134 1 6 0 0 0 M END > BMDB0004855 > bmdb > [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@]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)CCCCCCCCCCCCCCC > InChI=1S/C71H127N3O31/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-43(82)42(74-50(85)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2)39-96-67-59(92)57(90)61(48(37-78)99-67)101-69-60(93)65(105-71(70(94)95)33-44(83)51(72-40(3)80)64(104-71)53(86)45(84)34-75)62(49(38-79)100-69)102-66-52(73-41(4)81)63(55(88)47(36-77)97-66)103-68-58(91)56(89)54(87)46(35-76)98-68/h29,31,42-49,51-69,75-79,82-84,86-93H,5-28,30,32-39H2,1-4H3,(H,72,80)(H,73,81)(H,74,85)(H,94,95)/b31-29+/t42-,43+,44-,45-,46+,47+,48+,49+,51+,52+,53-,54-,55-,56-,57+,58+,59-,60+,61+,62-,63+,64?,65+,66-,67+,68-,69-,71-/m0/s1 > BWZAKDPPVXHOTB-IDSLTMOFSA-N > C71H127N3O31 > 1518.787 > 1517.845354321 > 34 > 232 > 164.75506769851202 > 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-[(1-hydroxyhexadecylidene)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 > 2.27 > 2.952028166068429 > -4.21 > 1 > 5 > -1 > 5.094930441248309 > 2.98089859967372 > 2.3674625567751324 > 551.0500000000003 > 368.3665999999996 > 50 > 0 > 9.31e-02 g/l > NeuAc-GM1a > 0 > BMDB0004855 > Ganglioside GM1 (18:1/16:0) > 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; 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 $$$$