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0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1434 -13.6125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4289 -9.9000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8579 -7.4250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5724 -12.7875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5724 -3.7125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.2868 -16.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4289 -11.5500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0000 -4.1250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7145 -16.0875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1434 -10.3125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2868 -4.1250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.0013 -16.0875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7145 -3.7125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4289 -16.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2868 -4.9500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.0013 -15.2625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4289 -4.1250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1434 -16.0875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4289 -11.5500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7145 -11.1375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1434 -6.1875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8579 -14.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -6.6000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5724 -13.6125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1434 -11.1375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1434 -7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -12.3750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5724 -5.3625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2868 -14.8500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4289 -4.9500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1434 -15.2625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7145 -11.1375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5724 -7.8375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -12.3750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -13.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -9.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -4.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -15.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -6.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -13.6125 0.0000 O 0 0 0 0 0 0 0 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-14.4375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -9.4875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -7.0125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -13.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -3.3000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 -16.9125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -11.9625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.3000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -16.9125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -10.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -4.5375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -15.6750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -3.3000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -16.9125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 -4.5375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 -15.6750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -4.5375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -15.6750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -11.9625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -10.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -5.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -14.4375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -7.0125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -13.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -10.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -8.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -11.9625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -5.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 -14.4375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -4.5375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -15.6750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -11.9625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12 1 1 6 0 0 0 13 2 1 1 0 0 0 14 3 1 4 0 0 0 15 4 1 4 0 0 0 16 5 1 0 0 0 0 17 6 1 0 0 0 0 18 7 1 1 0 0 0 19 8 1 6 0 0 0 20 9 1 1 0 0 0 21 10 1 6 0 0 0 22 11 1 1 0 0 0 25 12 1 0 0 0 0 26 13 1 0 0 0 0 27 16 1 0 0 0 0 28 18 1 0 0 0 0 29 19 1 0 0 0 0 30 22 1 0 0 0 0 31 25 1 0 0 0 0 32 26 1 0 0 0 0 33 28 1 0 0 0 0 34 29 1 0 0 0 0 35 31 1 0 0 0 0 36 32 1 0 0 0 0 37 33 1 0 0 0 0 38 34 1 0 0 0 0 40 17 1 0 0 0 0 40 27 1 0 0 0 0 41 20 1 0 0 0 0 42 21 1 0 0 0 0 43 23 1 0 0 0 0 43 41 1 0 0 0 0 44 24 1 0 0 0 0 44 42 1 0 0 0 0 45 30 1 0 0 0 0 45 39 1 0 0 0 0 46 23 1 0 0 0 0 47 24 1 0 0 0 0 48 35 1 0 0 0 0 49 36 1 0 0 0 0 50 37 1 0 0 0 0 51 38 1 0 0 0 0 52 39 1 0 0 0 0 53 14 2 0 0 0 0 23 53 1 6 0 0 0 54 15 2 0 0 0 0 24 54 1 1 0 0 0 55 5 2 0 0 0 0 56 6 1 0 0 0 0 57 7 1 0 0 0 0 58 8 1 0 0 0 0 59 9 1 0 0 0 0 60 10 1 0 0 0 0 61 14 1 0 0 0 0 62 15 1 0 0 0 0 16 63 1 1 0 0 0 17 64 1 6 0 0 0 25 65 1 6 0 0 0 26 66 1 1 0 0 0 27 67 1 1 0 0 0 28 68 1 1 0 0 0 29 69 1 6 0 0 0 30 70 1 1 0 0 0 31 71 1 1 0 0 0 32 72 1 6 0 0 0 33 73 1 1 0 0 0 34 74 1 6 0 0 0 35 75 1 1 0 0 0 36 76 1 6 0 0 0 37 77 1 1 0 0 0 38 78 1 6 0 0 0 39 79 1 6 0 0 0 80 11 1 0 0 0 0 80 46 1 0 0 0 0 81 12 1 0 0 0 0 81 48 1 0 0 0 0 82 13 1 0 0 0 0 82 49 1 0 0 0 0 83 18 1 0 0 0 0 83 50 1 0 0 0 0 84 19 1 0 0 0 0 84 51 1 0 0 0 0 85 20 1 0 0 0 0 85 46 1 0 0 0 0 86 21 1 0 0 0 0 86 47 1 0 0 0 0 87 22 1 0 0 0 0 87 52 1 0 0 0 0 40 88 1 1 0 0 0 52 88 1 1 0 0 0 41 89 1 6 0 0 0 50 89 1 1 0 0 0 90 42 1 0 0 0 0 51 90 1 6 0 0 0 43 91 1 6 0 0 0 48 91 1 1 0 0 0 44 92 1 6 0 0 0 49 92 1 6 0 0 0 45 93 1 1 0 0 0 47 93 1 6 0 0 0 12 94 1 1 0 0 0 13 95 1 6 0 0 0 16 96 1 1 0 0 0 17 97 1 6 0 0 0 18 98 1 6 0 0 0 19 99 1 1 0 0 0 20100 1 6 0 0 0 21101 1 1 0 0 0 22102 1 6 0 0 0 23103 1 1 0 0 0 24104 1 6 0 0 0 25105 1 1 0 0 0 26106 1 6 0 0 0 27107 1 1 0 0 0 28108 1 6 0 0 0 29109 1 1 0 0 0 30110 1 6 0 0 0 31111 1 1 0 0 0 32112 1 6 0 0 0 33113 1 6 0 0 0 34114 1 1 0 0 0 35115 1 6 0 0 0 36116 1 1 0 0 0 37117 1 1 0 0 0 38118 1 6 0 0 0 39119 1 1 0 0 0 40120 1 1 0 0 0 41121 1 1 0 0 0 122 42 1 0 0 0 0 43123 1 6 0 0 0 44124 1 6 0 0 0 45125 1 1 0 0 0 126 46 1 0 0 0 0 47127 1 1 0 0 0 48128 1 6 0 0 0 49129 1 1 0 0 0 50130 1 6 0 0 0 51131 1 1 0 0 0 52132 1 6 0 0 0 M END > BMDB0006618 > bmdb > [H][C@@](O)(CO)[C@@]([H])(O[C@]1([H])O[C@]([H])(COC2([H])O[C@]([H])(CO)[C@@]([H])(O[C@]3([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]3([H])O)[C@]([H])(O[C@]3([H])O[C@@]([H])(C)[C@@]([H])(O)[C@@]([H])(O)[C@]3([H])O)[C@@]2([H])N=C(C)O)[C@]([H])(O)[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@@]3([H])O)[C@@]([H])(O[C@]3([H])O[C@@]([H])(C)[C@@]([H])(O)[C@@]([H])(O)[C@]3([H])O)[C@@]2([H])N=C(C)O)[C@@]1([H])O)[C@]([H])(O)[C@@]([H])(O)C=O > InChI=1S/C52H88N2O39/c1-12-25(65)31(71)35(75)48(81-12)91-43-23(53-14(3)61)46(85-20(9-59)41(43)89-50-37(77)33(73)28(68)18(7-57)83-50)80-11-22-30(70)45(39(79)52(87-22)88-40(17(64)6-56)27(67)16(63)5-55)93-47-24(54-15(4)62)44(92-49-36(76)32(72)26(66)13(2)82-49)42(21(10-60)86-47)90-51-38(78)34(74)29(69)19(8-58)84-51/h5,12-13,16-52,56-60,63-79H,6-11H2,1-4H3,(H,53,61)(H,54,62)/t12-,13-,16-,17+,18+,19+,20+,21+,22+,23+,24+,25+,26+,27+,28-,29-,30-,31+,32+,33-,34-,35-,36-,37+,38+,39+,40+,41+,42?,43+,44-,45+,46?,47-,48-,49-,50-,51-,52-/m0/s1 > XOHQYIKZIFWWAG-ZTLMKGMCSA-N > C52H88N2O39 > 1365.251 > 1364.496421022 > 41 > 181 > 128.61532855126865 > 0 > 24 > 0 > 0 > N-[(3R,4R,5S,6R)-2-{[(2R,3S,4R,5R,6S)-3,5-dihydroxy-4-{[(2S,3R,4S,6R)-3-[(1-hydroxyethylidene)amino]-6-(hydroxymethyl)-5-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-6-{[(2R,3R,4R,5R)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxy}oxan-2-yl]methoxy}-6-(hydroxymethyl)-5-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl]ethanimidic acid > -1.92 > -12.807252282666663 > -0.73 > 1 > 7 > 0 > 5.773956367747869 > 5.171890680282457 > -3.8894382594559334 > 656.5300000000004 > 284.39730000000014 > 26 > 0 > 2.57e+02 g/l > DFH > 0 > BMDB0006618 > Difucosyllactohexaose > DFH; O-6-deoxy-alpha-L-galactopyranosyl-(1->3)-O-[beta-D-galactopyranosyl-(1->4)]-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->3)-O-[O-6-deoxy-alpha-L-galactopyranosyl-(1->3)-O-[beta-D-galactopyranosyl-(1->4)]-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->6)]-O-beta-D-galactopyranosyl-(1->4)- D-Glucose; O-6-deoxy-alpha-L-galactopyranosyl-(1->3)-O-[beta-delta-galactopyranosyl-(1->4)]-O-2-(acetylamino)-2-deoxy-beta-delta-glucopyranosyl-(1->3)-O-[O-6-deoxy-alpha-L-galactopyranosyl-(1->3)-O-[beta-delta-galactopyranosyl-(1->4)]-2-(acetylamino)-2-deoxy-beta-delta-glucopyranosyl-(1->6)]-O-beta-delta-galactopyranosyl-(1->4)- D-Glucose $$$$