Mrv0541 05061307062D 13 13 0 0 0 0 999 V2000 0.0000 2.4750 0.0000 C 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 -0.7145 -1.2375 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 1.4289 0.8250 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 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 0.0000 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 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 O 0 0 0 0 0 0 0 0 0 0 0 0 4 1 1 0 0 0 0 7 4 1 0 0 0 0 7 5 2 0 0 0 0 7 6 1 0 0 0 0 8 5 1 0 0 0 0 9 6 2 0 0 0 0 10 8 2 0 0 0 0 10 9 1 0 0 0 0 11 10 1 0 0 0 0 12 2 1 0 0 0 0 12 8 1 0 0 0 0 13 3 1 0 0 0 0 13 9 1 0 0 0 0 M END > NP0137431 > NP-MRD > CCC1=CC(OC)=C(O)C(OC)=C1 > InChI=1S/C10H14O3/c1-4-7-5-8(12-2)10(11)9(6-7)13-3/h5-6,11H,4H2,1-3H3 > PJWDIHUFLXQRFF-UHFFFAOYSA-N > C10H14O3 > 182.2164 > 182.094294314 > 3 > 19.489999216290776 > 1 > 1 > 0 > 1 > 4-ethyl-2,6-dimethoxyphenol > 2.29 > 2.312328017333333 > -2.10 > 0 > 1 > 0 > 9.714769687859734 > -4.601780235779446 > 38.69 > 50.60750000000001 > 3 > 1 > 1.45e+00 g/l > 4-ethyl-2,6-dimethoxyphenol > 1 > NP0137431 > 4-Ethylsyringol $$$$