Mrv2104 05272302032D 16 15 0 0 0 0 999 V2000 3.5211 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2355 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9500 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6645 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3789 2.8579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0934 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8079 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5224 3.2704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2368 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9513 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6658 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3802 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2368 2.0329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8079 2.0329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5224 1.6204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6645 4.0954 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 6 7 1 0 0 0 0 7 8 1 0 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 9 13 2 0 0 0 0 7 14 1 0 0 0 0 14 15 1 0 0 0 0 4 16 2 0 0 0 0 M END > NP0339781 > NP-MRD > CCCC(=O)OCC(CO)OC(=O)CCC > InChI=1/C11H20O5/c1-3-5-10(13)15-8-9(7-12)16-11(14)6-4-2/h9,12H,3-8H2,1-2H3 > AWHAUPZHZYUHOM-UHFFFAOYNA-N > C11H20O5 > 232.276 > 232.131073744 > 3 > 36 > 25.144795008792546 > 1 > 1 > 0 > 1 > 1-(butanoyloxy)-3-hydroxypropan-2-yl butanoate > 1.3334458220000005 > 0 > 0 > 0 > 14.577784012023345 > -2.9834772731409887 > 72.83000000000001 > 57.2749 > 10 > 1 > 1,2-dibutyrin > 0 > NP0339781 > 1,2-dibutyrin $$$$