Mrv0541 02231220472D 68 71 0 0 0 0 999 V2000 17.9569 -8.3834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5280 -10.0334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3859 -8.3834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5280 -11.4624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0509 -14.0183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3530 -12.8912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3859 -5.9084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9569 -10.8584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9569 -5.9084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8779 -10.0334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8779 -12.8912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8148 -7.5584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0530 -11.4624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1944 -15.2558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9569 -7.5584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3365 -16.0808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5280 -7.5584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6220 -14.0183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8148 -5.0834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0030 -12.8912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7655 -12.1769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1003 -8.7959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1930 -14.8433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5280 -5.0834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3859 -5.0834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1944 -16.0808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9569 -3.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3859 -3.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8134 -3.8459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3859 -10.0334 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.7655 -16.0808 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.2424 -9.6209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9569 -10.0334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6713 -9.6209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6713 -8.7959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2424 -8.7959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3859 -7.5584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1154 -10.7479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7655 -15.2558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1154 -12.1769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0509 -14.8433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2904 -10.7479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7655 -13.6058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2904 -12.1769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8779 -11.4624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1003 -7.1459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4799 -14.8433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6713 -7.1459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4799 -14.0183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1003 -6.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6713 -6.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5280 -12.8912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3365 -15.2558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5280 -8.3834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6220 -14.8433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8148 -5.9084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1780 -12.8912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9569 -5.0834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1003 -9.6209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9076 -15.2558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2424 -4.6709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6713 -4.6709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4799 -16.4933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8148 -10.0334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2424 -3.8459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6713 -3.8459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4799 -17.3183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5280 -3.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 32 1 0 0 0 0 2 38 1 0 0 0 0 3 35 1 0 0 0 0 3 37 1 0 0 0 0 4 38 1 0 0 0 0 4 40 1 0 0 0 0 5 41 1 0 0 0 0 5 43 1 0 0 0 0 6 43 1 0 0 0 0 6 52 1 0 0 0 0 7 50 1 0 0 0 0 7 51 1 0 0 0 0 8 33 1 0 0 0 0 9 51 1 0 0 0 0 9 58 1 0 0 0 0 10 42 1 0 0 0 0 11 44 1 0 0 0 0 12 46 1 0 0 0 0 13 45 1 0 0 0 0 14 47 1 0 0 0 0 15 48 1 0 0 0 0 16 53 1 0 0 0 0 17 54 1 0 0 0 0 18 55 1 0 0 0 0 19 56 1 0 0 0 0 20 57 1 0 0 0 0 21 57 2 0 0 0 0 22 59 2 0 0 0 0 23 60 1 0 0 0 0 24 61 1 0 0 0 0 25 62 1 0 0 0 0 26 63 2 0 0 0 0 27 65 1 0 0 0 0 28 66 1 0 0 0 0 29 68 2 0 0 0 0 30 34 1 0 0 0 0 30 59 1 0 0 0 0 31 39 1 0 0 0 0 31 63 1 0 0 0 0 32 33 1 0 0 0 0 32 36 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 36 54 1 0 0 0 0 37 46 1 0 0 0 0 37 48 1 0 0 0 0 38 42 1 0 0 0 0 39 41 1 0 0 0 0 39 47 1 0 0 0 0 40 44 1 0 0 0 0 40 52 1 0 0 0 0 41 53 1 0 0 0 0 42 45 1 0 0 0 0 43 49 1 0 0 0 0 43 57 1 0 0 0 0 44 45 1 0 0 0 0 46 50 1 0 0 0 0 47 49 1 0 0 0 0 48 51 1 0 0 0 0 50 56 1 0 0 0 0 53 55 1 0 0 0 0 55 60 1 0 0 0 0 58 61 1 0 0 0 0 58 62 1 0 0 0 0 59 64 1 0 0 0 0 61 65 1 0 0 0 0 62 66 1 0 0 0 0 63 67 1 0 0 0 0 65 68 1 0 0 0 0 M END > CHEM036183 > chemdb > CC(=O)NC1C(O)C(OC2OC(COC3(CC(O)C(NC(C)=O)C(O3)C(O)C(O)CO)C(O)=O)C(O)C(O)C2O)C(CO)OC1OC1C(O)C(CO)OC(OC(C(O)CO)C(O)C(O)C=O)C1O > InChI=1S/C37H62N2O29/c1-10(45)38-19-12(47)3-37(36(59)60,68-31(19)22(52)14(49)5-41)61-9-18-23(53)26(56)27(57)34(64-18)66-30-17(8-44)63-33(20(25(30)55)39-11(2)46)67-32-24(54)16(7-43)62-35(28(32)58)65-29(15(50)6-42)21(51)13(48)4-40/h4,12-35,41-44,47-58H,3,5-9H2,1-2H3,(H,38,45)(H,39,46)(H,59,60) > SXMGGNXBTZBGLU-UHFFFAOYSA-N > C37H62N2O29 > 998.8842 > 998.343824032 > 29 > 92.59044554204782 > 0 > 19 > 0 > 0 > 2-({6-[(6-{[3,5-dihydroxy-2-(hydroxymethyl)-6-[(1,2,4,5-tetrahydroxy-6-oxohexan-3-yl)oxy]oxan-4-yl]oxy}-5-acetamido-4-hydroxy-2-(hydroxymethyl)oxan-3-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methoxy)-5-acetamido-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid > -3.17 > -11.571136640333332 > -1.20 > 1 > 4 > -1 > 11.436319706984348 > 2.892789339708787 > -3.6887572997661087 > 510.09000000000003 > 205.95809999999986 > 22 > 0 > 6.26e+01 g/l > 2-({6-[(6-{[3,5-dihydroxy-2-(hydroxymethyl)-6-[(1,2,4,5-tetrahydroxy-6-oxohexan-3-yl)oxy]oxan-4-yl]oxy}-5-acetamido-4-hydroxy-2-(hydroxymethyl)oxan-3-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methoxy)-5-acetamido-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid > 0 > Sialyllacto-N-tetraose c > 155500-52-0 $$$$