Mrv0541 06301311512D 93 99 0 0 1 0 999 V2000 12.1984 -11.7859 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9128 -11.3734 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6273 -11.7859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9128 -10.5484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4839 -11.3734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6273 -12.6109 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1984 -12.6109 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9128 -13.0234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9128 -13.8484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4839 -13.0234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3418 -13.0234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0563 -12.6109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7708 -13.0234 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.0563 -11.7859 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7708 -11.3734 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.4852 -11.7859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4852 -12.6109 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7707 -13.7797 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.1997 -13.0506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4558 -9.6939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3418 -11.3734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1689 -8.8688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8833 -8.4563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5978 -8.8688 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.3123 -8.4563 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0268 -8.8688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7413 -8.4563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5978 -9.6938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0268 -9.6938 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.3123 -7.6313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3123 -10.1063 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.4557 -8.8688 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1702 -8.4563 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.8847 -8.8688 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.5991 -8.4563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8847 -9.6938 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1702 -10.1063 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.5992 -7.6260 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.3137 -7.2135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8847 -7.2135 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.8847 -6.3884 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1703 -5.9759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5992 -5.9759 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.3137 -6.3885 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0281 -5.9760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5992 -5.1509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7426 -6.3886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0642 -7.0683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5991 -10.1063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3136 -9.6938 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0281 -10.1064 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.3137 -8.8688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0281 -8.4564 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0281 -7.6314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7426 -8.8689 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.7425 -9.6939 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.4570 -10.1064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0281 -10.9314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4571 -8.4564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1702 -10.9313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1973 -13.8596 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.9118 -14.2721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9118 -15.0971 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.6263 -15.5097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4829 -14.2721 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.4829 -15.0971 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.2016 -15.5022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6263 -13.8597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7705 -15.5133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7747 -16.3383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7054 -14.2774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6262 -16.3347 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.9117 -16.7472 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.3407 -16.7472 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3407 -17.5722 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0552 -16.3348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6262 -17.9847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0551 -17.9848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0551 -18.8098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1973 -16.3346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9117 -17.5722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1972 -17.9847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1702 -7.6313 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.4557 -7.2188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4557 -6.3938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7413 -7.6313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0562 -14.1922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0562 -15.0172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3418 -13.7797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7708 -10.5484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4853 -10.1948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8847 -11.3439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7413 -10.1063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 2 4 1 6 0 0 0 1 5 1 6 0 0 0 6 3 1 0 0 0 0 7 1 1 0 0 0 0 8 7 1 0 0 0 0 6 8 1 0 0 0 0 9 8 1 0 0 0 0 7 10 1 6 0 0 0 6 11 1 1 0 0 0 12 11 1 0 0 0 0 13 12 1 0 0 0 0 14 12 1 0 0 0 0 15 14 1 0 0 0 0 16 15 1 0 0 0 0 17 16 1 0 0 0 0 13 18 1 6 0 0 0 13 17 1 0 0 0 0 17 19 1 1 0 0 0 14 21 1 6 0 0 0 23 22 1 0 0 0 0 24 23 1 6 0 0 0 25 24 1 0 0 0 0 26 25 1 0 0 0 0 27 26 1 0 0 0 0 28 24 1 0 0 0 0 29 26 1 0 0 0 0 25 30 1 6 0 0 0 31 29 1 0 0 0 0 28 31 1 0 0 0 0 31 21 1 6 0 0 0 32 27 1 1 0 0 0 33 32 1 0 0 0 0 20 32 1 0 0 0 0 34 33 1 0 0 0 0 34 35 1 1 0 0 0 36 34 1 0 0 0 0 37 20 1 0 0 0 0 36 37 1 0 0 0 0 38 35 1 1 0 0 0 39 38 1 0 0 0 0 40 38 1 0 0 0 0 41 40 1 0 0 0 0 41 42 1 1 0 0 0 43 41 1 0 0 0 0 44 43 1 0 0 0 0 44 45 1 1 0 0 0 39 44 1 0 0 0 0 43 46 1 1 0 0 0 47 45 1 0 0 0 0 40 48 1 6 0 0 0 36 49 1 6 0 0 0 50 49 1 6 0 0 0 51 50 1 0 0 0 0 52 50 1 0 0 0 0 53 52 1 0 0 0 0 53 54 1 1 0 0 0 55 53 1 0 0 0 0 56 55 1 0 0 0 0 56 57 1 1 0 0 0 51 58 1 6 0 0 0 51 56 1 0 0 0 0 55 59 1 1 0 0 0 37 60 1 1 0 0 0 61 19 1 6 0 0 0 62 61 1 0 0 0 0 63 62 1 0 0 0 0 63 64 1 6 0 0 0 65 61 1 0 0 0 0 66 65 1 0 0 0 0 67 66 1 0 0 0 0 63 67 1 0 0 0 0 68 62 1 0 0 0 0 66 69 1 6 0 0 0 70 69 1 0 0 0 0 65 71 1 6 0 0 0 72 64 1 1 0 0 0 73 72 1 0 0 0 0 74 72 1 0 0 0 0 75 74 1 0 0 0 0 74 76 1 6 0 0 0 75 77 1 6 0 0 0 78 75 1 0 0 0 0 79 78 2 0 0 0 0 73 80 1 1 0 0 0 81 73 1 0 0 0 0 82 81 1 0 0 0 0 33 83 1 6 0 0 0 84 83 1 0 0 0 0 85 84 2 0 0 0 0 86 84 1 0 0 0 0 87 18 1 0 0 0 0 88 87 2 0 0 0 0 89 87 1 0 0 0 0 15 90 1 1 0 0 0 91 90 1 0 0 0 0 92 60 1 0 0 0 0 29 93 1 1 0 0 0 M END > BMDB0006616 > bmdb > C[C@@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](OC3[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]4[C@@H](CO)O[C@@H](O[C@H]5[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C=O)C5O)[C@H](NC(C)=O)C4O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)C4O)[C@@H]3O)[C@H](NC(C)=O)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O > 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)/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 > BCUMESVDMXHZRL-JUDCGFFFSA-N > C52H88N2O39 > 1365.2451 > 1364.496421084 > 39 > 130.361309950833 > 0 > 24 > 0 > 0 > N-[(2S,3R,4R,5S,6R)-2-{[(2S,3R,5S,6R)-2-{[(2R,3S,5R,6S)-6-{[(2R,3S,4S,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-{[(2R,3R,4R,5R)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxy}oxan-4-yl]oxy}-5-acetamido-2-(hydroxymethyl)-4-{[(2S,4R,5S,6S)-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-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-{[(2S,3S,4R,5S,6S)-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 > 649.5500000000003 > 283.35390000000007 > 26 > 0 > 1.46e+02 g/l > N-[(2S,3R,4R,5S,6R)-2-{[(2S,3R,5S,6R)-2-{[(2R,3S,5R,6S)-6-{[(2R,3S,4S,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-{[(2R,3R,4R,5R)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxy}oxan-4-yl]oxy}-5-acetamido-2-(hydroxymethyl)-4-{[(2S,4R,5S,6S)-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-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl]acetamide > 0 > BMDB0006616 > Difucosyl-para-N-hexaose > Difucosyl-p-lacto-N-hexaose; Difucosyl-para-N-hexaose; O-6-deoxy-alpha-L-galactopyranosyl-(1->3)-O-[O-6-deoxy-alpha-L-galactopyranosyl-(1->4)-O-[beta-D-galactopyranosyl-(1->3)]-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)]-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->3)-O-beta-D-galactopyranosyl-(1->4)- D-Glucose; O-6-deoxy-alpha-L-galactopyranosyl-(1->3)-O-[O-6-deoxy-alpha-L-galactopyranosyl-(1->4)-O-[beta-delta-galactopyranosyl-(1->3)]-O-2-(acetylamino)-2-deoxy-beta-delta-glucopyranosyl-(1->3)-beta-delta-galactopyranosyl-(1->4)]-O-2-(acetylamino)-2-deoxy-beta-delta-glucopyranosyl-(1->3)-O-beta-delta-galactopyranosyl-(1->4)- D-Glucose $$$$