Mrv1533004171522442D 14 14 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 0.7145 2.0625 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 2.1434 -0.4125 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 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -1.2375 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 0.0000 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 2 0 0 0 0 4 5 1 0 0 0 0 6 5 1 4 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 5 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 3 13 1 0 0 0 0 13 14 1 0 0 0 0 M END > NP0306184 > NP-MRD > COC1=CC(C=CC=O)=CC(O)=C1O > InChI=1S/C10H10O4/c1-14-9-6-7(3-2-4-11)5-8(12)10(9)13/h2-6,12-13H,1H3 > IEHPLRVWOHZKCS-UHFFFAOYSA-N > C10H10O4 > 194.186 > 194.057908802 > 4 > 24 > 19.3052052593575 > 1 > 2 > 0 > 1 > 3-(3,4-dihydroxy-5-methoxyphenyl)prop-2-enal > 1.79 > 1.2126680986666662 > -2.15 > 0 > 1 > 0 > 12.751134804226393 > 9.344526504578829 > -4.349110001607953 > 66.76 > 52.559500000000014 > 3 > 1 > 1.37e+00 g/l > 3-(3,4-dihydroxy-5-methoxyphenyl)prop-2-enal > 0 > NP0306184 > 3-(3,4-dihydroxy-5-methoxyphenyl)prop-2-enal $$$$