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13.2000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.0039 16.9125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.0052 5.7750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1460 14.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8605 13.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4328 7.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5762 11.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4328 16.9125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7197 7.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2907 4.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1460 16.9125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5749 14.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5749 17.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8618 10.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0039 11.9625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2907 9.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0039 10.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4328 14.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2907 7.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5749 15.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0039 12.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8618 7.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1473 10.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4328 9.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4328 12.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0039 15.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7197 5.3625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.1486 7.0125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0052 7.4250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7197 6.1875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1460 16.0875 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 17.1473 12.3750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2894 17.3250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8605 17.3250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2894 14.8500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5749 16.0875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1473 9.9000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7184 12.3750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5762 9.9000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0039 11.1375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7184 14.8500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8618 8.6625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4328 11.1375 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 15.0039 16.0875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2907 8.6625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7184 9.9000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4328 13.6125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 4 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 18 1 0 0 0 0 20 17 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 1 0 0 0 0 32 30 2 0 0 0 0 33 31 1 0 0 0 0 39 3 1 4 0 0 0 40 38 1 0 0 0 0 41 32 1 0 0 0 0 41 40 1 0 0 0 0 42 34 1 6 0 0 0 43 35 1 6 0 0 0 44 36 1 6 0 0 0 45 37 1 1 0 0 0 46 33 1 0 0 0 0 48 42 1 0 0 0 0 49 43 1 0 0 0 0 50 47 1 0 0 0 0 50 48 1 0 0 0 0 53 51 1 0 0 0 0 54 52 1 0 0 0 0 56 44 1 0 0 0 0 56 51 1 0 0 0 0 57 45 1 0 0 0 0 57 52 1 0 0 0 0 58 49 1 0 0 0 0 58 55 1 0 0 0 0 59 47 1 0 0 0 0 60 53 1 0 0 0 0 61 54 1 0 0 0 0 62 55 1 0 0 0 0 63 39 2 0 0 0 0 47 63 1 1 0 0 0 40 64 1 6 0 0 0 64 46 2 0 0 0 0 65 34 1 0 0 0 0 66 35 1 0 0 0 0 67 36 1 0 0 0 0 68 37 1 0 0 0 0 69 39 1 0 0 0 0 41 70 1 1 0 0 0 46 71 1 4 0 0 0 48 72 1 6 0 0 0 49 73 1 6 0 0 0 50 74 1 1 0 0 0 51 75 1 6 0 0 0 52 76 1 1 0 0 0 53 77 1 6 0 0 0 54 78 1 6 0 0 0 55 79 1 1 0 0 0 80 38 1 0 0 0 0 60 80 1 6 0 0 0 81 42 1 0 0 0 0 81 59 1 0 0 0 0 82 43 1 0 0 0 0 82 62 1 0 0 0 0 83 44 1 0 0 0 0 83 60 1 0 0 0 0 84 45 1 0 0 0 0 84 61 1 0 0 0 0 56 85 1 6 0 0 0 61 85 1 1 0 0 0 57 86 1 6 0 0 0 62 86 1 1 0 0 0 58 87 1 1 0 0 0 59 87 1 6 0 0 0 88 30 1 0 0 0 0 89 32 1 0 0 0 0 40 90 1 6 0 0 0 41 91 1 1 0 0 0 42 92 1 1 0 0 0 43 93 1 1 0 0 0 44 94 1 1 0 0 0 45 95 1 6 0 0 0 47 96 1 6 0 0 0 48 97 1 1 0 0 0 49 98 1 1 0 0 0 50 99 1 1 0 0 0 51100 1 1 0 0 0 52101 1 6 0 0 0 53102 1 1 0 0 0 54103 1 1 0 0 0 55104 1 6 0 0 0 56105 1 6 0 0 0 57106 1 6 0 0 0 58107 1 1 0 0 0 59108 1 1 0 0 0 60109 1 1 0 0 0 61110 1 6 0 0 0 62111 1 6 0 0 0 M END > BMDB0004961 > 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])N=C(C)O)[C@@]3([H])O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@]1([H])O)N=C(O)CCCCCCCCCCCCCCCCC > InChI=1S/C62H114N2O23/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-33-46(71)64-40(41(70)32-30-28-26-24-22-20-17-15-13-11-9-7-5-2)38-80-60-53(77)51(75)56(44(36-67)83-60)85-61-54(78)52(76)57(45(37-68)84-61)86-62-55(79)58(49(73)43(35-66)82-62)87-59-47(63-39(3)69)50(74)48(72)42(34-65)81-59/h30,32,40-45,47-62,65-68,70,72-79H,4-29,31,33-38H2,1-3H3,(H,63,69)(H,64,71)/b32-30+/t40-,41+,42+,43+,44+,45+,47+,48-,49-,50+,51+,52+,53-,54+,55+,56+,57-,58-,59-,60+,61-,62+/m0/s1 > WQRPYKCGVLWFGH-VAHDYIGASA-N > C62H114N2O23 > 1255.585 > 1254.781237939 > 25 > 201 > 141.83625040580824 > 0 > 15 > 0 > 0 > N-[(2S,3R,4E)-1-{[(2R,3S,4R,5S,6R)-5-{[(2S,3R,4R,5R,6R)-5-{[(2R,3R,4S,5S,6R)-4-{[(2S,3R,4R,5R,6R)-4,5-dihydroxy-3-[(1-hydroxyethylidene)amino]-6-(hydroxymethyl)oxan-2-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-hydroxyoctadec-4-en-2-yl]octadecanimidic acid > 4.14 > 6.022322951333332 > -4.56 > 1 > 4 > 0 > 5.998321155759319 > 5.35574840514092 > 2.599468057399675 > 402.01000000000016 > 316.77559999999966 > 45 > 0 > 3.46e-02 g/l > N-[(2S,3R,4E)-1-{[(2R,3S,4R,5S,6R)-5-{[(2S,3R,4R,5R,6R)-5-{[(2R,3R,4S,5S,6R)-4-{[(2S,3R,4R,5R,6R)-4,5-dihydroxy-3-[(1-hydroxyethylidene)amino]-6-(hydroxymethyl)oxan-2-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-hydroxyoctadec-4-en-2-yl]octadecanimidic acid > 0 > BMDB0004961 > Tetrahexosylceramide (d18:1/18:0) > CQH; Cytolipin K; GalNAc-beta1->3Gal-alpha1->3Gal-beta1->4Glc-beta1->1'Cer; Ganglioside Gb4; Ganglioside GL 4; Gb4; Gb4Cer; Globo-N-tetraosylceramide; Globosidate; Globoside; Globoside Gb 4; Globoside GL 4; Globoside I; Globosidic acid; Globotetraosylceramide; iGb4Cer; N-Acetyl-D-galactosaminyl-1,3-D-galactosyl-1,4-D-galactosyl-1,4-D-glucosylceramide; N-Acetyl-delta-galactosaminyl-1,3-delta-galactosyl-1,4-delta-galactosyl-1,4-delta-glucosylceramide; N-Acetyl-galactosaminyl-1,3-D-galactosyl-1,4-D-galactosyl-1,4-D-glucosylceramide; N-Acetyl-galactosaminyl-1,3-delta-galactosyl-1,4-delta-galactosyl-1,4-delta-glucosylceramide; Parvovirus B19 receptor $$$$