Mrv0541 02231220492D 58 61 0 0 1 0 999 V2000 14.5058 -4.1575 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5058 -4.9825 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.2194 -5.3950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.9317 -4.9825 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.9317 -4.1575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2194 -3.7463 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.6467 -5.3950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3617 -4.9825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0768 -5.3950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.7905 -4.9825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7905 -4.1588 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0768 -3.7477 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3617 -4.1588 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.0768 -7.2926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3617 -7.7052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6467 -7.2940 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.9331 -7.7052 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.9331 -8.5302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6467 -8.9427 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.3617 -8.5302 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.6467 -11.5148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3617 -11.9273 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.3617 -12.7524 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.0754 -13.1649 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.7877 -12.7524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7877 -11.9273 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0754 -11.5162 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.0754 -13.9899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7905 -14.4024 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.7905 -15.2275 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5055 -13.9899 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2205 -14.4024 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.5055 -13.1649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9356 -13.9899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2205 -15.2275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6506 -14.4024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0754 -15.6400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5055 -15.6400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3604 -15.2275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2194 -2.9213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7921 -3.7450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7908 -5.3950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2194 -6.2201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6481 -3.7463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0768 -2.9227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5041 -3.7463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2191 -4.1588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6413 -6.6010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0768 -8.9427 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.2194 -7.2926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5044 -7.7052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0754 -10.6911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6467 -13.1649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5028 -11.5148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2178 -11.9273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7918 -7.7052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7918 -8.5302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5055 -8.9427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 1 6 1 0 0 0 0 4 7 1 1 0 0 0 7 8 1 6 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 8 13 1 0 0 0 0 9 14 1 1 0 0 0 14 15 1 6 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 15 20 1 0 0 0 0 19 21 1 6 0 0 0 22 21 1 1 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 22 27 1 0 0 0 0 24 28 1 1 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 1 0 0 0 31 32 1 0 0 0 0 31 33 1 6 0 0 0 32 34 1 0 0 0 0 32 35 1 6 0 0 0 34 36 2 0 0 0 0 30 37 1 0 0 0 0 30 38 1 6 0 0 0 37 39 1 0 0 0 0 6 40 1 6 0 0 0 1 41 1 6 0 0 0 2 42 1 6 0 0 0 3 43 1 1 0 0 0 13 44 1 1 0 0 0 12 45 1 1 0 0 0 11 46 1 1 0 0 0 46 47 1 0 0 0 0 16 48 1 1 0 0 0 20 49 1 1 0 0 0 17 50 1 6 0 0 0 50 51 1 0 0 0 0 27 52 1 1 0 0 0 23 53 1 6 0 0 0 26 54 1 1 0 0 0 54 55 1 0 0 0 0 49 57 1 0 0 0 0 56 57 1 0 0 0 0 57 58 2 0 0 0 0 M END > CHEM036200 > chemdb > C[C@@H]1O[C@@H](OC2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2OC2[C@H](O)[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]2NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O > InChI=1S/C32H55NO25/c1-8-16(42)21(47)23(49)30(51-8)58-28-22(48)18(44)12(5-36)54-32(28)56-26-15(33-9(2)39)29(52-13(6-37)19(26)45)57-27-20(46)14(7-38)53-31(24(27)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 > DTVXXTISAIGIBA-GZPGEGJMSA-N > C32H55NO25 > 853.7708 > 853.306316315 > 25 > 80.06611098336651 > 0 > 16 > 0 > 0 > N-[(2S,3R,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}-4-{[(2R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide > -2.21 > -9.892828372666663 > -0.91 > 1 > 4 > 0 > 11.758121675550337 > 11.423192455640555 > -3.676506702989518 > 423.46000000000004 > 176.55640000000008 > 17 > 0 > 1.04e+02 g/l > N-[(2S,3R,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}-4-{[(2R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide > 0 > Lacto-N-fucopentaose I > 7578-25-8 $$$$