Mrv0541 02241201192D 20 22 0 0 1 0 999 V2000 -0.1016 0.2539 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6643 0.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1566 -1.5613 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7108 1.0239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6685 1.4851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3751 0.2412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1212 -1.9548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7362 -0.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0931 1.8279 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3878 1.8955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0902 0.6515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1240 -1.5401 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5528 -0.7785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7404 0.0423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0944 1.4766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7967 0.2412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1324 -2.3609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5613 0.0423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8010 1.8998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8475 -2.7672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 2 0 0 0 0 2 6 1 0 0 0 0 3 7 1 1 0 0 0 3 8 1 0 0 0 0 4 9 2 0 0 0 0 5 10 1 0 0 0 0 6 11 2 0 0 0 0 12 7 1 1 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 10 15 2 0 0 0 0 11 16 1 0 0 0 0 12 17 1 0 0 0 0 13 18 1 0 0 0 0 15 19 1 0 0 0 0 17 20 1 0 0 0 0 5 9 1 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 M END > M2MDB000805 > M2MDB > CC1=CC2=C(C=C1C)N(C=N2)[C@H]1O[C@H](CO)C(O)C1O > InChI=1S/C14H18N2O4/c1-7-3-9-10(4-8(7)2)16(6-15-9)14-13(19)12(18)11(5-17)20-14/h3-4,6,11-14,17-19H,5H2,1-2H3/t11-,12?,13?,14+/m1/s1 > HLRUKOJSWOKCPP-RYSNWHEDSA-N > C14H18N2O4 > 278.3037 > 278.126657074 > 5 > 29.38188642020596 > 1 > 3 > 0 > 1 > (2S,5R)-2-(5,6-dimethyl-1H-1,3-benzodiazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol > 0.35 > 0.7263956360000006 > -1.84 > 0 > 3 > 0 > 13.891804080288225 > 12.455603310049778 > 5.99802750713596 > 87.74000000000001 > 71.6472 > 2 > 1 > 4.03e+00 g/l > (2S,5R)-2-(5,6-dimethyl-1,3-benzodiazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol > 0 > ECMDB11112 > N1-(alpha-D-ribosyl)-5,6-dimethyl-benzimidazole $$$$