Mrv0541 02231220442D 58 61 0 0 1 0 999 V2000 17.7065 -8.7098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7065 -6.2347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2774 -8.7098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1353 -7.0597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2774 -11.1847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4689 -5.5202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8498 -8.2973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8485 -11.1847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7065 -9.5347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8485 -9.5347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1353 -9.5347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5315 -4.8059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5643 -6.2347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7065 -3.3769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9931 -7.0597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0564 -3.3769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9931 -8.7098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7065 -12.0097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8189 -4.0913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5630 -8.2973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4195 -12.0097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2774 -12.0097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8485 -13.6598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2774 -13.6598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7051 -13.2473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2774 -7.0597 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.7065 -7.0597 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.4209 -7.4722 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9920 -7.4722 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.9920 -8.2973 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.4209 -8.2973 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2774 -9.5347 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9920 -9.9472 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5630 -9.9472 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.2940 -5.5202 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.8498 -7.4722 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.1353 -8.7098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9920 -10.7722 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.7065 -4.8059 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5630 -10.7722 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.5643 -7.0597 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.2940 -4.0913 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.2788 -7.4722 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4689 -4.0913 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.0564 -4.8059 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.2788 -8.2973 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.5643 -8.7098 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.7065 -11.1847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5630 -7.4722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8485 -12.0097 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.2314 -4.8058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5643 -9.5347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1341 -12.4222 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5630 -12.4222 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8485 -7.0597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1341 -13.2473 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5630 -13.2473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4195 -13.6598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 27 2 1 1 0 0 0 35 2 1 6 0 0 0 30 3 1 1 0 0 0 32 3 1 1 0 0 0 28 4 1 6 0 0 0 36 4 1 1 0 0 0 5 38 1 0 0 0 0 5 40 1 0 0 0 0 6 35 1 0 0 0 0 6 45 1 0 0 0 0 7 36 1 0 0 0 0 7 47 1 0 0 0 0 40 8 1 1 0 0 0 50 8 1 6 0 0 0 33 9 1 1 0 0 0 34 10 1 6 0 0 0 11 37 1 0 0 0 0 39 12 1 1 0 0 0 41 13 1 1 0 0 0 42 14 1 6 0 0 0 43 15 1 6 0 0 0 44 16 1 6 0 0 0 46 17 1 6 0 0 0 18 48 1 0 0 0 0 19 51 1 0 0 0 0 20 49 2 0 0 0 0 53 21 1 1 0 0 0 54 22 1 6 0 0 0 56 23 1 1 0 0 0 24 57 1 0 0 0 0 25 58 2 0 0 0 0 29 26 1 6 0 0 0 26 49 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 28 31 1 0 0 0 0 29 30 1 0 0 0 0 31 37 1 1 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 33 38 1 0 0 0 0 34 40 1 0 0 0 0 35 39 1 0 0 0 0 36 41 1 0 0 0 0 38 48 1 1 0 0 0 39 42 1 0 0 0 0 41 43 1 0 0 0 0 42 44 1 0 0 0 0 43 46 1 0 0 0 0 44 45 1 0 0 0 0 45 51 1 6 0 0 0 46 47 1 0 0 0 0 47 52 1 6 0 0 0 49 55 1 0 0 0 0 50 53 1 0 0 0 0 50 54 1 0 0 0 0 53 56 1 0 0 0 0 54 57 1 0 0 0 0 56 58 1 0 0 0 0 M END > BMDB0006577 > bmdb > C[C@@H]1O[C@@H](O[C@@H]2[C@@H](CO)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)[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/C32H55NO25/c1-8-16(42)20(46)22(48)30(51-8)56-26-14(7-38)54-29(15(33-9(2)39)27(26)57-31-23(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 > FKADDOYBRRMBPP-QKPOUJQKSA-N > C32H55NO25 > 853.7708 > 853.306316315 > 25 > 81.31637376795038 > 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)-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 > -2.21 > -9.892828372666663 > -0.91 > 1 > 4 > 0 > 11.73571907438482 > 11.40925106610693 > -3.6786211379015414 > 423.46000000000004 > 176.55639999999985 > 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)-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 > BMDB0006577 > Lacto-N-fucopentaose-2 > Lacto-N-fucopentaose II; Lacto-N-fucopentaose-2; Lea penta; LNF II; LNFP II; O-6-deoxy-alpha-L-galactopyranosyl-(1->4)-O-[beta-D-galactopyranosyl-(1->3)]-O-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-(1->3)-O-b-D-galactopyranosyl-(1->4)- D-Glucose; O-6-deoxy-alpha-L-galactopyranosyl-(1->4)-O-[beta-D-galactopyranosyl-(1->3)]-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->4)-O-[beta-D-galactopyranosyl-(1->3)]-O-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-O-b-D-galactopyranosyl-(1->4)-D-Glucopyranose; O-6-deoxy-alpha-L-galactopyranosyl-(1->4)-O-[beta-D-galactopyranosyl-(1->3)]-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->4)-O-[beta-delta-galactopyranosyl-(1->3)]-O-2-(acetylamino)-2-deoxy-beta-delta-glucopyranosyl-(1->3)-O-beta-delta-galactopyranosyl-(1->4)- D-Glucose; O-6-deoxy-alpha-L-galactopyranosyl-(1->4)-O-[beta-delta-galactopyranosyl-(1->3)]-O-2-acetamido-2-deoxy-beta-delta-glucopyranosyl-(1->3)-O-beta-delta-galactopyranosyl-(1->4)-delta-Glucopyranose $$$$