Mrv1652304282221052D 17 17 0 0 1 0 999 V2000 2.6330 0.5864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8782 -0.2013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3186 -0.8075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5138 -0.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9189 0.1477 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4638 0.3432 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2186 1.1309 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7782 1.7371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5830 1.5556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9955 2.2980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4784 0.7539 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2587 -0.1790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6289 1.3509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0050 2.1067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8284 2.1577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2599 -0.1833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8362 0.2953 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 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 1 11 1 0 0 0 0 11 12 1 6 0 0 0 7 13 1 1 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 6 16 1 6 0 0 0 5 17 1 6 0 0 0 M END > NP0073877 > NP-MRD > CCC[C@H]1OC(=O)[C@@H](O)CC\C=C/[C@@H](O)[C@@H]1O > InChI=1S/C12H20O5/c1-2-5-10-11(15)8(13)6-3-4-7-9(14)12(16)17-10/h3,6,8-11,13-15H,2,4-5,7H2,1H3/b6-3-/t8-,9+,10-,11+/m1/s1 > KQJGPGHQDDZVHJ-WGEJGHALSA-N > C12H20O5 > 244.287 > 244.131073744 > 4 > 37 > 25.181707551913252 > 1 > 3 > 0 > 1 > (3S,8R,9S,10R)-3,8,9-trihydroxy-10-propyl-3,4,5,8,9,10-hexahydro-2H-oxecin-2-one > 0.24 > 0.5291733840000001 > -0.85 > 0 > 1 > 0 > 13.204308694333779 > 12.535850766253574 > -3.341324133083016 > 86.99000000000001 > 62.0347 > 2 > 1 > 3.42e+01 g/l > (3S,8R,9S,10R)-3,8,9-trihydroxy-10-propyl-3,4,5,8,9,10-hexahydrooxecin-2-one > 0 > NP0073877 > (+)-Herbarumin II $$$$