Mrv0541 06041315002D 58 61 0 0 1 0 999 V2000 6.9578 -10.8761 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6766 -10.4712 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3866 -10.8913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2477 -10.4560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9490 -11.7011 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3778 -11.7163 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2302 -12.1059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6590 -12.1212 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0879 -12.1364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6502 -12.9461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8067 -11.7315 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5168 -12.1516 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8155 -10.9066 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5342 -10.5016 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5429 -9.6766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2443 -10.9217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2356 -11.7466 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5081 -12.9765 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9457 -12.1666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6645 -11.7617 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3746 -12.1817 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6732 -10.9367 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3920 -10.5318 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4007 -9.7068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1021 -10.9518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0934 -11.7768 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3659 -13.0067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8034 -12.1968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1196 -9.3019 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1282 -8.4769 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.8471 -8.0719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4182 -8.0569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4269 -7.2319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8296 -9.7219 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.8209 -10.5469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5484 -9.3170 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.2585 -9.7370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5571 -8.4920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9773 -9.3321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6854 -9.6463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1053 -10.4865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1141 -9.6602 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4039 -9.2401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8328 -9.2552 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8416 -8.4302 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4127 -8.4151 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7025 -7.9951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5603 -8.0253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1314 -8.0102 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1402 -7.1852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2617 -9.2717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6674 -9.0817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7113 -7.1702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9631 -10.5167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5223 -11.7919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2182 -13.3965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2095 -14.2215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9370 -12.9916 0.0000 C 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 1 4 1 6 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 5 7 1 6 0 0 0 8 6 1 0 0 0 0 5 8 1 0 0 0 0 6 9 1 1 0 0 0 8 10 1 1 0 0 0 11 9 1 1 0 0 0 12 11 1 0 0 0 0 13 11 1 0 0 0 0 14 13 1 0 0 0 0 14 15 1 1 0 0 0 16 14 1 0 0 0 0 17 16 1 0 0 0 0 12 18 1 6 0 0 0 12 17 1 0 0 0 0 17 19 1 1 0 0 0 20 19 1 6 0 0 0 21 20 1 0 0 0 0 22 20 1 0 0 0 0 23 22 1 0 0 0 0 23 24 1 6 0 0 0 25 23 1 0 0 0 0 26 25 1 0 0 0 0 21 27 1 6 0 0 0 21 26 1 0 0 0 0 26 28 1 6 0 0 0 29 24 1 6 0 0 0 30 29 1 0 0 0 0 30 31 1 1 0 0 0 32 30 1 0 0 0 0 33 32 1 0 0 0 0 34 29 1 0 0 0 0 34 35 1 1 0 0 0 36 34 1 0 0 0 0 37 36 1 0 0 0 0 36 38 1 1 0 0 0 39 37 2 0 0 0 0 2 40 1 6 0 0 0 13 41 1 6 0 0 0 42 41 1 6 0 0 0 43 42 1 0 0 0 0 44 42 1 0 0 0 0 45 44 1 0 0 0 0 46 43 1 0 0 0 0 46 47 1 6 0 0 0 45 48 1 6 0 0 0 49 46 1 0 0 0 0 45 49 1 0 0 0 0 49 50 1 6 0 0 0 51 15 1 0 0 0 0 44 52 1 1 0 0 0 53 47 1 0 0 0 0 22 54 1 1 0 0 0 55 28 1 0 0 0 0 56 18 1 0 0 0 0 57 56 2 0 0 0 0 58 56 1 0 0 0 0 M END > BMDB0006576 > bmdb > C[C@@H]1O[C@@H](O[C@@H]2[C@@H](NC(C)=O)[C@H](O[C@H]3[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C=O)[C@@H]3O)O[C@H](CO)[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/C32H55NO25/c1-8-16(42)20(46)22(48)30(51-8)57-27-15(33-9(2)39)29(54-14(7-38)26(27)56-31-23(49)21(47)18(44)12(5-36)52-31)58-28-19(45)13(6-37)53-32(24(28)50)55-25(11(41)4-35)17(43)10(40)3-34/h3,8,10-32,35-38,40-50H,4-7H2,1-2H3,(H,33,39)/t8-,10-,11+,12+,13+,14+,15+,16+,17+,18-,19-,20+,21-,22-,23+,24+,25+,26+,27+,28-,29-,30-,31-,32-/m0/s1 > WMYQZGAEYLPOSX-QKPOUJQKSA-N > C32H55NO25 > 853.7708 > 853.306316315 > 25 > 80.21768761176806 > 0 > 16 > 0 > 0 > N-[(2S,3R,4R,5S,6R)-2-{[(2R,3S,4S,5R,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}-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]acetamide > -2.21 > -9.892828372666663 > -0.91 > 1 > 4 > 0 > 11.735719392741473 > 11.409251031401775 > -3.6786216223978805 > 423.4600000000001 > 176.55640000000005 > 17 > 0 > 1.06e+02 g/l > N-[(2S,3R,4R,5S,6R)-2-{[(2R,3S,4S,5R,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}-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]acetamide > 0 > BMDB0006576 > Lacto-N-fucopentaose III > Lacto-N-fucopentaose III; Lacto-N-fucopentoase-3; Lacto-N-neofucopentaose II; Lex penta; LNF III; LNFP III; O-6-deoxy-alpha-L-galactopyranosyl-(1->3)-O-[beta-D-galactopyranosyl-(1->4)]-O-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-O-beta-D-galactopyranosyl-(1->4)- D-Glucopyranose; O-6-deoxy-alpha-L-galactopyranosyl-(1->3)-O-[beta-delta-galactopyranosyl-(1->4)]-O-2-acetamido-2-deoxy-beta-delta-glucopyranosyl-(1->3)-O-beta-delta-galactopyranosyl-(1->4)- D-Glucopyranose $$$$