Mrv1533004161518462D 13 12 0 0 0 0 999 V2000 1.6500 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 -1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8875 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8875 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7125 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 -1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9500 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7125 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9500 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3625 0.7145 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 4 6 1 0 0 0 0 3 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 M END > NP0287533 > NP-MRD > COC(C(C)O)C(OC)C(O)C=O > InChI=1S/C8H16O5/c1-5(10)7(12-2)8(13-3)6(11)4-9/h4-8,10-11H,1-3H3 > YDRYVFIXULKSEI-UHFFFAOYSA-N > C8H16O5 > 192.211 > 192.099773615 > 5 > 29 > 19.14321177010424 > 1 > 2 > 0 > 0 > 2,5-dihydroxy-3,4-dimethoxyhexanal > -1.08 > -1.2351975890000002 > 0.10 > 0 > 0 > 0 > 14.431039910617425 > 12.483579784850726 > -3.0531607412801343 > 75.99000000000001 > 45.3043 > 6 > 1 > 2.42e+02 g/l > 2,5-dihydroxy-3,4-dimethoxyhexanal > 0 > NP0287533 > 2,5-dihydroxy-3,4-dimethoxyhexanal $$$$