Mrv1652310011600502D 70 72 0 0 1 0 999 V2000 1.6203 7.6459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7806 7.9577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6203 6.0868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5612 7.9577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9410 3.9041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2405 5.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0802 7.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0507 7.1782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8101 5.6191 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4304 5.3073 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3502 5.3073 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8313 7.1782 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6709 4.6836 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1308 6.2427 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8903 4.6836 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8903 4.6836 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6414 7.0223 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9410 6.0868 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6203 3.9041 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9115 6.2427 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8101 3.7482 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3714 5.6191 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0802 4.8395 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2110 5.3073 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5908 5.6191 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2700 4.3718 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5612 5.7750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3502 6.2427 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8608 7.0223 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2700 6.5546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4304 6.2427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1013 8.5814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4009 3.2804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2700 7.1782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5106 6.5546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1604 6.0868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1604 3.9041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7004 4.8395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1815 7.6459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4811 6.7105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1604 3.2804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7216 6.0868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5401 2.9686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6414 4.8395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7806 5.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5401 5.1514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2912 6.5546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8608 4.8395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5401 4.2159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0212 5.1514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2700 4.9954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7004 4.5277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1604 5.4632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3714 7.8018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4811 4.5277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6709 6.8664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6203 5.4632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4304 4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4516 6.8664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7511 5.9309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0802 4.5277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1815 5.4632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3502 3.1245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1013 6.3986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3502 4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4009 5.4632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3207 6.3986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 3.5923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8313 4.9954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8 1 1 4 0 0 0 9 2 1 4 0 0 0 10 3 1 0 0 0 0 11 7 1 0 0 0 0 12 4 1 1 0 0 0 13 5 1 6 0 0 0 14 6 1 1 0 0 0 16 11 1 0 0 0 0 17 12 1 0 0 0 0 18 13 1 0 0 0 0 19 15 1 0 0 0 0 20 17 1 0 0 0 0 21 18 1 0 0 0 0 22 20 1 0 0 0 0 23 21 1 0 0 0 0 24 10 1 0 0 0 0 24 16 1 0 0 0 0 25 14 1 0 0 0 0 25 19 1 0 0 0 0 26 15 1 0 0 0 0 27 22 1 0 0 0 0 28 23 1 0 0 0 0 29 8 2 0 0 0 0 10 29 1 6 0 0 0 30 9 2 0 0 0 0 15 30 1 6 0 0 0 31 3 2 0 0 0 0 32 4 1 0 0 0 0 33 5 1 0 0 0 0 34 6 1 0 0 0 0 35 8 1 0 0 0 0 36 9 1 0 0 0 0 11 37 1 1 0 0 0 16 38 1 1 0 0 0 17 39 1 1 0 0 0 18 40 1 1 0 0 0 19 41 1 1 0 0 0 20 42 1 6 0 0 0 21 43 1 1 0 0 0 22 44 1 6 0 0 0 23 45 1 6 0 0 0 46 7 1 0 0 0 0 26 46 1 1 0 0 0 47 12 1 0 0 0 0 47 27 1 0 0 0 0 48 13 1 0 0 0 0 48 28 1 0 0 0 0 49 14 1 0 0 0 0 49 26 1 0 0 0 0 24 50 1 6 0 0 0 27 50 1 1 0 0 0 25 51 1 6 0 0 0 28 51 1 6 0 0 0 10 52 1 6 0 0 0 11 53 1 1 0 0 0 12 54 1 6 0 0 0 13 55 1 1 0 0 0 14 56 1 6 0 0 0 15 57 1 1 0 0 0 16 58 1 1 0 0 0 17 59 1 6 0 0 0 18 60 1 6 0 0 0 19 61 1 6 0 0 0 20 62 1 6 0 0 0 21 63 1 6 0 0 0 22 64 1 1 0 0 0 23 65 1 6 0 0 0 24 66 1 1 0 0 0 25 67 1 6 0 0 0 26 68 1 6 0 0 0 27 69 1 6 0 0 0 28 70 1 1 0 0 0 M END > BMDB0002067 > bmdb > [H][C@@](O)(CO[C@]1([H])O[C@]([H])(CO)[C@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@@]([H])(O)[C@@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]1([H])N=C(C)O)[C@]([H])(O)[C@]([H])(O[C@]1([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]1([H])O)[C@@]([H])(C=O)N=C(C)O > InChI=1S/C28H48N2O21/c1-8(35)29-10(3-31)24(50-27-22(44)20(42)17(39)12(4-32)47-27)16(38)11(37)7-46-26-15(30-9(2)36)19(41)25(14(6-34)49-26)51-28-23(45)21(43)18(40)13(5-33)48-28/h3,10-28,32-34,37-45H,4-7H2,1-2H3,(H,29,35)(H,30,36)/t10-,11-,12-,13-,14-,15-,16+,17+,18-,19-,20+,21-,22-,23-,24-,25+,26-,27+,28+/m1/s1 > HKHAQIZMVCMZAO-CAJUPBBASA-N > C28H48N2O21 > 748.685 > 748.274956574 > 23 > 99 > 70.45382915128422 > 0 > 14 > 0 > 0 > N-[(2S,3R,4S,5R)-4,5-dihydroxy-6-{[(2R,3R,4R,5R,6R)-4-hydroxy-3-[(1-hydroxyethylidene)amino]-6-(hydroxymethyl)-5-{[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-1-oxo-3-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexan-2-yl]ethanimidic acid > -2.48 > -7.817729633333334 > -0.89 > 1 > 3 > 0 > 5.7902750949709585 > 5.187949601167479 > -3.648377573667104 > 380.3900000000001 > 157.83150000000003 > 16 > 0 > 9.72e+01 g/l > N-[(2S,3R,4S,5R)-4,5-dihydroxy-6-{[(2R,3R,4R,5R,6R)-4-hydroxy-3-[(1-hydroxyethylidene)amino]-6-(hydroxymethyl)-5-{[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-1-oxo-3-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexan-2-yl]ethanimidic acid > 0 > BMDB0002067 > O-b-D-Gal-(1->3)-O-[O-b-D-Gal-(1->4)-2-(acetylamino)-2-deoxy-b-D-Glc-(1->6)]-2-(acetylamino)-2-deoxy- D-Galactose > O-b-D-galactopyranosyl-(1->3)-O-[O-b-D-galactopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-(1->6)]-2-(acetylamino)-2-deoxy- D-Galactose; O-beta-D-galactopyranosyl-(1->3)-O-[O-beta-D-galactopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->6)]-2-(acetylamino)-2-deoxy- D-Galactose $$$$