Mrv1652309052213042D 19 19 0 0 0 0 999 V2000 2.8579 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -5.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4315 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4315 -7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1460 -7.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 -7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 -8.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 -7.4250 0.0000 C 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 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 2 0 0 0 0 12 19 1 0 0 0 0 M END > NP0212412 > NP-MRD > CCCCCC(=O)\C=C\C=C\C1=CC=C(O)C(O)=C1 > InChI=1S/C16H20O3/c1-2-3-4-8-14(17)9-6-5-7-13-10-11-15(18)16(19)12-13/h5-7,9-12,18-19H,2-4,8H2,1H3/b7-5+,9-6+ > FIXKGWSAHWHSMT-PDTNFJSOSA-N > C16H20O3 > 260.333 > 260.141244504 > 3 > 39 > 30.029337860754328 > 1 > 2 > 0 > 1 > (1E,3E)-1-(3,4-dihydroxyphenyl)deca-1,3-dien-5-one > 4.4200386546666675 > 0 > 1 > 0 > 12.4983840363 > 9.052823717243694 > -4.691506220483966 > 57.53 > 79.3213 > 7 > 1 > (1E,3E)-1-(3,4-dihydroxyphenyl)deca-1,3-dien-5-one > 0 > NP0212412 > (1e,3e)-1-(3,4-dihydroxyphenyl)deca-1,3-dien-5-one $$$$