Mrv1652309072211262D 14 14 0 0 0 0 999 V2000 2.1434 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 1.4289 2.4750 0.0000 C 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 C 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 0.7145 -0.4125 0.0000 C 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 -0.7145 -1.2375 0.0000 C 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 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 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 10 13 1 0 0 0 0 5 13 1 0 0 0 0 13 14 2 0 0 0 0 M END > NP0247544 > NP-MRD > CCCCC1=CC(=O)C=C(OC)C1=O > InChI=1S/C11H14O3/c1-3-4-5-8-6-9(12)7-10(14-2)11(8)13/h6-7H,3-5H2,1-2H3 > JTNZEYFXPDFBBF-UHFFFAOYSA-N > C11H14O3 > 194.23 > 194.094294311 > 3 > 28 > 20.85562885793061 > 1 > 0 > 0 > 1 > 2-butyl-6-methoxycyclohexa-2,5-diene-1,4-dione > 2.347540003666667 > 0 > 1 > 0 > -4.941242836622204 > 43.370000000000005 > 55.90750000000001 > 4 > 1 > 2-butyl-6-methoxycyclohexa-2,5-diene-1,4-dione > 0 > NP0247544 > 2-butyl-6-methoxycyclohexa-2,5-diene-1,4-dione $$$$