Mrv1652309122204132D 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 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 1.4289 3.3000 0.0000 C 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 0.7145 3.7125 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 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 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 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 2 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 7 14 1 0 0 0 0 M END > NP0323052 > NP-MRD > CC(O)\C=C(/C)C1=CC=C(C)C(=O)O1 > InChI=1S/C11H14O3/c1-7-4-5-10(14-11(7)13)8(2)6-9(3)12/h4-6,9,12H,1-3H3/b8-6+ > YTIZIBHJJUZRCZ-SOFGYWHQSA-N > C11H14O3 > 194.23 > 194.094294311 > 2 > 28 > 21.133629678816547 > 1 > 1 > 0 > 1 > 6-[(2E)-4-hydroxypent-2-en-2-yl]-3-methyl-2H-pyran-2-one > 1.483887707666667 > 0 > 1 > 0 > 15.264881367018486 > -2.6829408900661145 > 46.53 > 56.83480000000001 > 2 > 1 > 6-[(2E)-4-hydroxypent-2-en-2-yl]-3-methylpyran-2-one > 0 > NP0323052 > 6-[(2e)-4-hydroxypent-2-en-2-yl]-3-methylpyran-2-one $$$$