Mrv1652309072223482D 14 14 0 0 1 0 999 V2000 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 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.0625 0.0000 C 0 0 2 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 0.7145 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 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 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 -1.4289 0.0000 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 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 6 0 0 0 3 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 8 9 1 0 0 0 0 9 10 1 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 11 14 2 0 0 0 0 5 14 1 0 0 0 0 M END > NP0256848 > NP-MRD > COC1=CC=C(C=C1OC)[C@@H](O)C=C > InChI=1S/C11H14O3/c1-4-9(12)8-5-6-10(13-2)11(7-8)14-3/h4-7,9,12H,1H2,2-3H3/t9-/m0/s1 > DFQDENBMPURIHD-VIFPVBQESA-N > C11H14O3 > 194.23 > 194.094294311 > 3 > 28 > 20.810485730564533 > 1 > 1 > 0 > 1 > (1S)-1-(3,4-dimethoxyphenyl)prop-2-en-1-ol > 1.681570410666667 > 0 > 1 > 0 > 14.08166207051422 > -3.2004810103570795 > 38.69 > 54.6332 > 4 > 1 > (1S)-1-(3,4-dimethoxyphenyl)prop-2-en-1-ol > 1 > NP0256848 > (1s)-1-(3,4-dimethoxyphenyl)prop-2-en-1-ol $$$$