Mrv1652309052201112D 13 13 0 0 0 0 999 V2000 1.9967 3.5893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2822 3.1768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2822 2.3518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5678 1.9393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5678 1.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2352 0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9803 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4652 -0.8227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1296 -1.5764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6145 -2.2438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1553 -0.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3297 -0.8227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0997 0.6294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 4 0 0 0 2 3 2 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 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 7 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 5 13 1 0 0 0 0 M END > NP0203680 > NP-MRD > CC=C\C=C1\OC(=O)C(\C=C\C)=C1 > InChI=1S/C11H12O2/c1-3-5-7-10-8-9(6-4-2)11(12)13-10/h3-8H,1-2H3/b5-3?,6-4+,10-7+ > UTMKJYVBEKRSSY-NWHDPXCGSA-N > C11H12O2 > 176.215 > 176.083729626 > 1 > 25 > 20.077389930379084 > 1 > 0 > 0 > 1 > (5E)-5-(but-2-en-1-ylidene)-3-[(1E)-prop-1-en-1-yl]-2,5-dihydrofuran-2-one > 2.5934382413333337 > 0 > 1 > 0 > -7.0739212212946985 > 26.3 > 56.67790000000001 > 2 > 1 > (5E)-5-(but-2-en-1-ylidene)-3-[(1E)-prop-1-en-1-yl]furan-2-one > 1 > NP0203680 > (5e)-5-(but-2-en-1-ylidene)-3-[(1e)-prop-1-en-1-yl]furan-2-one $$$$