Mrv1652309012222032D 15 16 0 0 0 0 999 V2000 1.4289 -1.6500 0.0000 O 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 2.1434 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -2.8875 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 -2.8875 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 -2.1434 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -2.4750 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 -2.1434 -1.2375 0.0000 C 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 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 2 7 1 0 0 0 0 8 7 1 4 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 10 15 1 0 0 0 0 M END > NP0141692 > NP-MRD > O=C1OC=CC=C1C=CC1CC=CC=C1 > InChI=1S/C13H12O2/c14-13-12(7-4-10-15-13)9-8-11-5-2-1-3-6-11/h1-5,7-11H,6H2 > ZHCFKDFPHNHTDA-UHFFFAOYSA-N > C13H12O2 > 200.237 > 200.083729626 > 1 > 27 > 21.37877808529801 > 1 > 0 > 0 > 1 > 3-[2-(cyclohexa-2,4-dien-1-yl)ethenyl]-2H-pyran-2-one > 3.31 > 2.546513208333333 > -3.57 > 0 > 2 > 0 > -7.042626974283372 > 26.3 > 64.15480000000001 > 2 > 1 > 5.37e-02 g/l > 3-[2-(cyclohexa-2,4-dien-1-yl)ethenyl]pyran-2-one > 1 > NP0141692 > 3-[2-(cyclohexa-2,4-dien-1-yl)ethenyl]pyran-2-one $$$$