Mrv0541 02231220452D 56 58 0 0 1 0 999 V2000 3.8588 -4.0728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5636 -4.5017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2874 -4.1058 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9922 -4.5346 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7160 -4.1386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3064 -3.2809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9732 -5.3594 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2494 -5.7553 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6780 -5.7882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5446 -5.3265 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6590 -6.6130 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2305 -6.5801 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5067 -6.9761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3638 -7.0419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9352 -7.0089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6970 -4.9634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6555 -7.4904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0876 -6.6459 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7924 -7.0748 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1066 -5.8211 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8304 -5.4252 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8494 -4.6004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5352 -5.8540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5162 -6.6788 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7734 -7.8996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2210 -7.1077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9448 -6.7118 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6495 -7.1406 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9638 -5.8870 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4018 -5.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2400 -6.2829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6876 -5.4910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2590 -5.4581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3924 -5.9199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6306 -7.9654 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3354 -8.3943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9067 -8.3613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3734 -6.7447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0781 -7.1736 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8020 -6.7776 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0591 -7.9983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5067 -7.2065 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.7639 -8.4272 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.2305 -6.8106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7449 -9.2520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4877 -8.0313 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8210 -5.9529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1925 -8.4602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5732 -4.2045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8077 -7.5351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8877 -9.1861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8209 -5.7224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1161 -5.2936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8019 -6.5472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9393 -7.9001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3683 -7.9058 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 4 3 1 0 0 0 0 4 5 1 1 0 0 0 3 6 1 1 0 0 0 7 4 1 0 0 0 0 8 7 1 0 0 0 0 9 7 1 0 0 0 0 8 10 1 1 0 0 0 11 9 1 0 0 0 0 12 8 1 0 0 0 0 12 13 1 6 0 0 0 14 11 1 0 0 0 0 15 12 1 0 0 0 0 11 15 1 0 0 0 0 7 16 1 1 0 0 0 11 17 1 1 0 0 0 18 14 1 1 0 0 0 19 18 1 0 0 0 0 20 18 1 0 0 0 0 21 20 1 0 0 0 0 21 22 1 1 0 0 0 23 21 1 0 0 0 0 24 23 1 0 0 0 0 19 25 1 6 0 0 0 24 26 1 1 0 0 0 19 24 1 0 0 0 0 27 26 1 0 0 0 0 28 27 1 0 0 0 0 29 27 1 0 0 0 0 20 30 1 1 0 0 0 27 31 1 1 0 0 0 32 29 1 0 0 0 0 29 33 1 6 0 0 0 34 32 1 0 0 0 0 35 28 1 0 0 0 0 35 36 1 1 0 0 0 37 35 1 0 0 0 0 38 28 1 0 0 0 0 39 38 1 1 0 0 0 40 39 1 0 0 0 0 41 39 1 0 0 0 0 42 40 1 0 0 0 0 43 41 1 0 0 0 0 42 44 1 6 0 0 0 43 45 1 6 0 0 0 46 42 1 0 0 0 0 43 46 1 0 0 0 0 40 47 1 1 0 0 0 46 48 1 6 0 0 0 49 22 1 0 0 0 0 28 50 1 1 0 0 0 51 37 2 0 0 0 0 52 10 1 0 0 0 0 53 52 1 0 0 0 0 54 52 2 0 0 0 0 55 17 1 0 0 0 0 56 17 2 0 0 0 0 M END > BMDB0006606 > bmdb > [H][C@@](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@]2(C[C@H](O)[C@@H](NC(C)=O)[C@@]([H])(O2)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]1O)([C@H](O)CO)[C@]([H])(O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H](O)C=O > InChI=1S/C29H49NO23/c1-8-16(40)19(43)20(44)26(48-8)50-22(12(38)5-32)23(13(39)6-33)51-27-21(45)25(18(42)14(7-34)49-27)53-29(28(46)47)3-10(36)15(30-9(2)35)24(52-29)17(41)11(37)4-31/h5,8,10-27,31,33-34,36-45H,3-4,6-7H2,1-2H3,(H,30,35)(H,46,47)/t8-,10-,11+,12-,13+,14+,15+,16+,17+,18-,19+,20-,21+,22+,23+,24+,25-,26-,27-,29-/m0/s1 > FNCPZGGSTQEGGK-DRSOAOOLSA-N > C29H49NO23 > 779.6923 > 779.269536879 > 23 > 71.64335420765892 > 0 > 15 > 0 > 0 > (2S,4S,5R,6R)-2-{[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-{[(2R,3R,4R,5R)-1,2,5-trihydroxy-6-oxo-4-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}hexan-3-yl]oxy}oxan-4-yl]oxy}-5-acetamido-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid > -2.61 > -8.465355834333334 > -0.99 > 1 > 3 > -1 > 11.506647171524554 > 2.837864782120152 > -3.6558034012226317 > 401.84 > 160.89980000000006 > 17 > 0 > 7.93e+01 g/l > (2S,4S,5R,6R)-2-{[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-{[(2R,3R,4R,5R)-1,2,5-trihydroxy-6-oxo-4-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}hexan-3-yl]oxy}oxan-4-yl]oxy}-5-acetamido-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid > 0 > BMDB0006606 > 3'-Sialyl-3-fucosyllactose > 3-Sialyl-3-fucosyllactose; O-(N-acetyl-alpha-neuraminosyl)-(2->3)-O-beta-D-galactopyranosyl-(1->4)-O-[6-deoxy-alpha-L-galactopyranosyl-(1->3)]-D-glucose; O-(N-acetyl-alpha-neuraminosyl)-(2->3)-O-beta-delta-galactopyranosyl-(1->4)-O-[6-deoxy-alpha-L-galactopyranosyl-(1->3)]-delta-glucose $$$$