Mrv0541 02231220302D 93 99 0 0 0 0 999 V2000 15.9764 -7.0541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8343 -7.0541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5474 -8.7042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5489 -8.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5474 -6.2291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6909 -8.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1184 -8.7042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6923 -7.0541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6923 -8.7042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4054 -6.2291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3099 -5.5145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8343 -8.7042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9298 -7.7686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1184 -11.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9778 -9.9417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6895 -11.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9764 -9.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5474 -9.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6895 -9.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5489 -9.9417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3725 -4.8002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5173 -5.6252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1199 -9.9417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1213 -9.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5474 -3.3711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1674 -5.6252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8974 -3.3711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1213 -11.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.9924 -7.0541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6923 -12.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5474 -12.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4040 -8.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6923 -6.2291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2605 -12.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1184 -12.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6895 -13.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1184 -13.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2605 -14.4793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1184 -7.0541 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.2634 -6.2291 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.2619 -7.4666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5474 -7.0541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8330 -7.4666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9778 -7.4666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2634 -7.0541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1199 -7.4666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9778 -8.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2619 -8.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5489 -7.4666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8330 -8.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4054 -7.0541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6909 -7.4666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2634 -8.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1199 -8.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4054 -8.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1184 -9.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1349 -5.5147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9764 -8.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5173 -7.0541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8330 -9.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4040 -9.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6923 -9.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2634 -9.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5474 -4.8002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9298 -6.3397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8330 -10.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4054 -9.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4040 -10.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4068 -9.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1349 -4.0856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7548 -6.3397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3099 -4.0856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8974 -4.8002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4068 -10.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1674 -7.0541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7548 -7.7686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6923 -11.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9778 -10.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4040 -7.4666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9778 -5.8166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5474 -11.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0724 -4.8001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1674 -8.4831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6895 -12.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2634 -11.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6895 -7.0541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9778 -4.9916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9750 -12.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4040 -12.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9750 -13.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4040 -13.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2605 -13.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9924 -8.4832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 41 1 0 0 0 0 1 52 1 0 0 0 0 2 46 1 0 0 0 0 2 49 1 0 0 0 0 3 48 1 0 0 0 0 3 50 1 0 0 0 0 4 49 1 0 0 0 0 4 53 1 0 0 0 0 5 42 1 0 0 0 0 5 57 1 0 0 0 0 6 52 1 0 0 0 0 6 55 1 0 0 0 0 7 50 1 0 0 0 0 7 56 1 0 0 0 0 8 44 1 0 0 0 0 8 59 1 0 0 0 0 9 47 1 0 0 0 0 9 62 1 0 0 0 0 10 51 1 0 0 0 0 11 57 1 0 0 0 0 11 73 1 0 0 0 0 12 54 1 0 0 0 0 13 59 1 0 0 0 0 13 76 1 0 0 0 0 14 66 1 0 0 0 0 14 68 1 0 0 0 0 15 62 1 0 0 0 0 15 78 1 0 0 0 0 16 68 1 0 0 0 0 16 84 1 0 0 0 0 17 58 1 0 0 0 0 18 60 1 0 0 0 0 19 61 1 0 0 0 0 20 63 1 0 0 0 0 21 64 1 0 0 0 0 22 65 1 0 0 0 0 23 67 1 0 0 0 0 24 69 1 0 0 0 0 25 70 1 0 0 0 0 26 71 1 0 0 0 0 27 72 1 0 0 0 0 28 74 1 0 0 0 0 29 75 1 0 0 0 0 30 77 1 0 0 0 0 31 81 1 0 0 0 0 32 79 2 0 0 0 0 33 80 2 0 0 0 0 34 88 1 0 0 0 0 35 89 1 0 0 0 0 36 90 1 0 0 0 0 37 91 1 0 0 0 0 38 92 2 0 0 0 0 39 43 1 0 0 0 0 39 79 1 0 0 0 0 40 45 1 0 0 0 0 40 80 1 0 0 0 0 41 42 1 0 0 0 0 41 48 1 0 0 0 0 42 43 1 0 0 0 0 43 50 1 0 0 0 0 44 45 1 0 0 0 0 44 47 1 0 0 0 0 45 49 1 0 0 0 0 46 51 1 0 0 0 0 46 54 1 0 0 0 0 47 53 1 0 0 0 0 48 58 1 0 0 0 0 51 52 1 0 0 0 0 53 63 1 0 0 0 0 54 55 1 0 0 0 0 55 67 1 0 0 0 0 56 60 1 0 0 0 0 56 61 1 0 0 0 0 57 64 1 0 0 0 0 59 65 1 0 0 0 0 60 66 1 0 0 0 0 61 68 1 0 0 0 0 62 69 1 0 0 0 0 64 70 1 0 0 0 0 65 71 1 0 0 0 0 66 81 1 0 0 0 0 69 74 1 0 0 0 0 70 72 1 0 0 0 0 71 75 1 0 0 0 0 72 73 1 0 0 0 0 73 82 1 0 0 0 0 74 77 1 0 0 0 0 75 76 1 0 0 0 0 76 83 1 0 0 0 0 77 78 1 0 0 0 0 78 85 1 0 0 0 0 79 86 1 0 0 0 0 80 87 1 0 0 0 0 84 88 1 0 0 0 0 84 89 1 0 0 0 0 88 90 1 0 0 0 0 89 91 1 0 0 0 0 90 92 1 0 0 0 0 93 83 1 0 0 0 0 M END > BMDB0005823 > bmdb > CC1OC(OC2C(CO)OC(OC3C(O)C(CO)OC(OC4C(CO)OC(OC5C(O)C(CO)OC(OC(C(O)CO)C(O)C(O)C=O)C5O)C(NC(C)=O)C4OC4OC(C)C(O)C(O)C4O)C3O)C(NC(C)=O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O > InChI=1S/C52H88N2O39/c1-12-25(66)31(72)34(75)48(80-12)88-40-21(10-60)85-47(24(54-15(4)63)43(40)91-50-36(77)33(74)28(69)18(7-57)82-50)93-45-30(71)20(9-59)84-52(38(45)79)89-41-22(11-61)86-46(23(53-14(3)62)42(41)90-49-35(76)32(73)26(67)13(2)81-49)92-44-29(70)19(8-58)83-51(37(44)78)87-39(17(65)6-56)27(68)16(64)5-55/h5,12-13,16-52,56-61,64-79H,6-11H2,1-4H3,(H,53,62)(H,54,63) > BCUMESVDMXHZRL-UHFFFAOYSA-N > C52H88N2O39 > 1365.2451 > 1364.496421084 > 39 > 130.3489694699983 > 0 > 24 > 0 > 0 > N-[2-({2-[(6-{[3,5-dihydroxy-2-(hydroxymethyl)-6-[(1,2,4,5-tetrahydroxy-6-oxohexan-3-yl)oxy]oxan-4-yl]oxy}-5-acetamido-2-(hydroxymethyl)-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl)oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl}oxy)-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl]acetamide > -1.72 > -14.446460536666665 > -0.97 > 1 > 7 > 0 > 11.661872587605549 > 11.287890059744305 > -3.947516990662286 > 649.5500000000002 > 283.3538999999997 > 26 > 0 > 1.46e+02 g/l > N-[2-({2-[(6-{[3,5-dihydroxy-2-(hydroxymethyl)-6-[(1,2,4,5-tetrahydroxy-6-oxohexan-3-yl)oxy]oxan-4-yl]oxy}-5-acetamido-2-(hydroxymethyl)-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl)oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl}oxy)-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl]acetamide > 0 > BMDB0005823 > Difucosyllacto-N-hexaose I > DFpLNH; Lea-Lex-Lac $$$$