Mrv0541 02241216532D 23 24 0 0 0 0 999 V2000 -2.2393 -2.2098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9538 -2.6223 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9538 -3.4473 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2393 -3.8598 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5248 -3.4473 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5248 -2.6223 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8103 -2.2098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8103 -3.8598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2393 -4.6848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6682 -3.8598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6682 -2.2098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3827 -2.6223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6186 -0.5598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0959 -0.9723 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0959 -1.7973 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6186 -2.2098 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3331 -1.7973 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3331 -0.9723 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0475 -0.5598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0475 -2.2098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6186 -3.0348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8103 -0.5598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5248 -0.9723 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 6 7 1 1 0 0 0 5 8 1 1 0 0 0 4 9 1 1 0 0 0 3 10 1 6 0 0 0 2 11 1 1 0 0 0 11 12 1 0 0 0 0 15 7 1 6 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 13 18 1 0 0 0 0 18 19 1 1 0 0 0 17 20 1 1 0 0 0 16 21 1 1 0 0 0 14 22 1 1 0 0 0 22 23 1 0 0 0 0 M END > DB01687 > drugbank > OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@H](O)[C@H](O)O[C@@H]2CO)[C@@H](O)[C@@H](O)[C@@H]1O > InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8+,9+,10-,11-,12+/m1/s1 > GUBGYTABKSRVRQ-PZPXDAEZSA-N > C12H22O11 > 342.2965 > 342.116211546 > 11 > 45 > -6.614814377167016e-05 > 31.166891020582145 > 0 > 8 > 0 > 0 > (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-{[(2R,3S,4R,5S,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxane-3,4,5-triol > -3.01 > -4.703374863666666 > 0.23 > 0 > 0 > 2 > 0 > 12.173689317234611 > 11.254374125721942 > -2.9810835652988272 > 189.52999999999997 > 68.3367 > 4 > 0 > 5.86e+02 g/l > tetrahydrofolic acid > 0 > DB01687 > EXPT02103 > experimental > beta-Mannobiose > 4-O-β-D-mannopyranosyl-β-D-mannopyranose; β-mannobiose $$$$