Mrv1652309072222302D 24 24 0 0 0 0 999 V2000 -1.4289 4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 4 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 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 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 10 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 16 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 8 23 1 0 0 0 0 23 24 1 0 0 0 0 M END > NP0255871 > NP-MRD > CC=C(C)COCC1OC(OCC(C)C)C(OC(C)=O)C(O)C1O > InChI=1S/C17H30O7/c1-6-11(4)8-21-9-13-14(19)15(20)16(23-12(5)18)17(24-13)22-7-10(2)3/h6,10,13-17,19-20H,7-9H2,1-5H3 > BLMQKSAUCLZUFD-UHFFFAOYSA-N > C17H30O7 > 346.42 > 346.199153306 > 6 > 54 > 37.40293852075022 > 1 > 2 > 0 > 1 > 4,5-dihydroxy-6-{[(2-methylbut-2-en-1-yl)oxy]methyl}-2-(2-methylpropoxy)oxan-3-yl acetate > 1.4003884653333334 > 0 > 1 > 0 > 14.13179273031157 > 12.701100143969121 > -3.649324823518425 > 94.45 > 87.4397 > 9 > 1 > 4,5-dihydroxy-6-{[(2-methylbut-2-en-1-yl)oxy]methyl}-2-(2-methylpropoxy)oxan-3-yl acetate > 0 > NP0255871 > 4,5-dihydroxy-6-{[(2-methylbut-2-en-1-yl)oxy]methyl}-2-(2-methylpropoxy)oxan-3-yl acetate $$$$