Mrv0541 02231220462D 103110 0 0 0 0 999 V2000 19.8133 -10.1434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8133 -7.6683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3843 -10.1434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2421 -8.4933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3843 -12.6183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5758 -6.9538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2409 -14.6809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9553 -13.4433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0975 -13.4433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0975 -15.0934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6383 -6.2395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9567 -9.7309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8133 -12.6183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9553 -10.9683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8133 -10.9683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8133 -4.8105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7547 -13.9322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8120 -16.3308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2421 -10.9683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1633 -4.8105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6383 -4.8105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6711 -7.6683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1001 -8.4933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1001 -10.1434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2409 -16.3308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5331 -11.8929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6686 -15.9184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2882 -6.2395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9257 -5.5249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9083 -11.6063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6686 -17.5683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8476 -12.8703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0975 -18.3934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1133 -4.8105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6699 -9.7309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2882 -3.3815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2421 -13.4433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3843 -13.4433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8120 -11.3808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5264 -18.3934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8133 -15.0934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3843 -15.0934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9567 -14.6809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3843 -8.4933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5264 -12.6183 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.8133 -8.4933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0987 -8.9058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5278 -8.9058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0987 -9.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5278 -9.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3843 -10.9683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6699 -11.3808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8120 -13.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4008 -6.9539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6699 -12.2058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0987 -11.3808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8120 -14.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5264 -13.4433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8133 -6.2395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2409 -13.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0987 -12.2058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5264 -15.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4008 -5.5249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9567 -8.9058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2421 -10.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5758 -5.5249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9553 -12.6183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1633 -6.2395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6711 -8.4933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3856 -8.9058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2850 -13.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0975 -15.9184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3856 -9.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6711 -10.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0508 -5.5249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5264 -15.9184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0029 -12.5248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3830 -16.3308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8757 -5.5249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3382 -6.2394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1904 -12.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3830 -17.1558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8133 -13.4433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6699 -8.9058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6601 -13.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0975 -17.5683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9423 -13.7889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8120 -17.1558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2882 -4.8105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8757 -4.0960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0508 -4.0960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6711 -10.9683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5278 -13.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0987 -13.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8120 -12.2058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9553 -8.4933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5264 -17.5683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4120 -14.4209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6383 -3.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5278 -14.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0987 -14.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0975 -12.6183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2421 -15.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 49 1 0 0 0 0 1 50 1 0 0 0 0 2 46 1 0 0 0 0 2 54 1 0 0 0 0 3 49 1 0 0 0 0 3 51 1 0 0 0 0 4 48 1 0 0 0 0 4 64 1 0 0 0 0 5 55 1 0 0 0 0 5 61 1 0 0 0 0 6 54 1 0 0 0 0 6 68 1 0 0 0 0 7 60 1 0 0 0 0 7 62 1 0 0 0 0 8 60 1 0 0 0 0 8 67 1 0 0 0 0 9 53 1 0 0 0 0 9 71 1 0 0 0 0 10 57 1 0 0 0 0 10 72 1 0 0 0 0 11 59 1 0 0 0 0 11 75 1 0 0 0 0 12 64 1 0 0 0 0 12 74 1 0 0 0 0 13 61 1 0 0 0 0 13 83 1 0 0 0 0 14 52 1 0 0 0 0 15 56 1 0 0 0 0 16 63 1 0 0 0 0 17 71 1 0 0 0 0 17 87 1 0 0 0 0 18 72 1 0 0 0 0 18 88 1 0 0 0 0 19 65 1 0 0 0 0 20 66 1 0 0 0 0 21 75 1 0 0 0 0 21 91 1 0 0 0 0 22 69 1 0 0 0 0 23 70 1 0 0 0 0 24 73 1 0 0 0 0 25 76 1 0 0 0 0 26 77 1 0 0 0 0 27 78 1 0 0 0 0 28 79 1 0 0 0 0 29 80 1 0 0 0 0 30 81 1 0 0 0 0 31 82 1 0 0 0 0 32 85 1 0 0 0 0 33 86 1 0 0 0 0 34 89 1 0 0 0 0 35 84 2 0 0 0 0 36 90 1 0 0 0 0 37 93 1 0 0 0 0 38 94 1 0 0 0 0 39 95 2 0 0 0 0 40 97 1 0 0 0 0 41100 1 0 0 0 0 42101 1 0 0 0 0 43103 2 0 0 0 0 44 47 1 0 0 0 0 44 84 1 0 0 0 0 45 58 1 0 0 0 0 45 95 1 0 0 0 0 46 47 1 0 0 0 0 46 48 1 0 0 0 0 47 49 1 0 0 0 0 48 50 1 0 0 0 0 50 65 1 0 0 0 0 51 52 1 0 0 0 0 51 56 1 0 0 0 0 52 55 1 0 0 0 0 53 57 1 0 0 0 0 53 58 1 0 0 0 0 54 59 1 0 0 0 0 55 67 1 0 0 0 0 56 61 1 0 0 0 0 57 62 1 0 0 0 0 58 60 1 0 0 0 0 59 63 1 0 0 0 0 62 76 1 0 0 0 0 63 66 1 0 0 0 0 64 69 1 0 0 0 0 66 68 1 0 0 0 0 68 80 1 0 0 0 0 69 70 1 0 0 0 0 70 73 1 0 0 0 0 71 77 1 0 0 0 0 72 78 1 0 0 0 0 73 74 1 0 0 0 0 74 92 1 0 0 0 0 75 79 1 0 0 0 0 77 81 1 0 0 0 0 78 82 1 0 0 0 0 79 89 1 0 0 0 0 81 85 1 0 0 0 0 82 86 1 0 0 0 0 83 93 1 0 0 0 0 83 94 1 0 0 0 0 84 96 1 0 0 0 0 85 87 1 0 0 0 0 86 88 1 0 0 0 0 87 98 1 0 0 0 0 88 97 1 0 0 0 0 89 90 1 0 0 0 0 90 91 1 0 0 0 0 91 99 1 0 0 0 0 93100 1 0 0 0 0 94101 1 0 0 0 0 95102 1 0 0 0 0 100103 1 0 0 0 0 M END > BMDB0006621 > bmdb > CC1OC(OC2C(O)C(O)C(CO)OC2OC2C(NC(C)=O)C(OC3C(O)C(COC4OC(CO)C(OC5OC(CO)C(O)C(O)C5O)C(OC5OC(C)C(O)C(O)C5O)C4NC(C)=O)OC(OC(C(O)CO)C(O)C(O)C=O)C3O)OC(CO)C2OC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O > InChI=1S/C58H98N2O43/c1-13-27(71)34(78)39(83)53(89-13)98-46-23(11-66)95-52(26(60-17(5)68)48(46)101-58-50(38(82)32(76)21(9-64)93-58)103-55-41(85)36(80)29(73)15(3)91-55)102-49-33(77)24(96-57(43(49)87)97-44(19(70)7-62)30(74)18(69)6-61)12-88-51-25(59-16(4)67)47(100-54-40(84)35(79)28(72)14(2)90-54)45(22(10-65)94-51)99-56-42(86)37(81)31(75)20(8-63)92-56/h6,13-15,18-58,62-66,69-87H,7-12H2,1-5H3,(H,59,67)(H,60,68) > YOTBLRKYLWEPOA-UHFFFAOYSA-N > C58H98N2O43 > 1511.3863 > 1510.554329892 > 43 > 143.40016149661312 > 0 > 26 > 0 > 0 > N-(4-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-2-{[2-({[3-acetamido-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}methyl)-3,5-dihydroxy-6-[(1,2,4,5-tetrahydroxy-6-oxohexan-3-yl)oxy]oxan-4-yl]oxy}-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl)acetamide > -1.41 > -15.170386215666662 > -0.99 > 1 > 8 > 0 > 11.653491059187827 > 11.278670193585992 > -3.947516990657543 > 708.4700000000004 > 314.22349999999966 > 28 > 0 > 1.56e+02 g/l > N-(4-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-2-{[2-({[3-acetamido-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}methyl)-3,5-dihydroxy-6-[(1,2,4,5-tetrahydroxy-6-oxohexan-3-yl)oxy]oxan-4-yl]oxy}-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl)acetamide > 0 > BMDB0006621 > Trifucosyllacto-N-hexaose > TFLNH(a); Trifucosyllacto-n-hexaose-a $$$$