Mrv1652309072220242D 14 14 0 0 1 0 999 V2000 -0.8612 4.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8612 3.5893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1467 3.1768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1467 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 2.0198 0.8843 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1913 1.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6329 0.3323 0.0000 O 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 0.1553 -0.1553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0997 0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8843 0.8843 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 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 1 0 0 0 0 8 10 1 6 0 0 0 7 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 6 13 1 0 0 0 0 13 14 2 0 0 0 0 M END > NP0254287 > NP-MRD > C\C=C\C=C\C1=C(COC1=O)[C@H](C)O > InChI=1S/C11H14O3/c1-3-4-5-6-9-10(8(2)12)7-14-11(9)13/h3-6,8,12H,7H2,1-2H3/b4-3+,6-5+/t8-/m0/s1 > FGXKLJPRSLZOMS-YNAPYJBPSA-N > C11H14O3 > 194.23 > 194.094294311 > 2 > 28 > 21.01887666098561 > 1 > 1 > 0 > 1 > 4-[(1S)-1-hydroxyethyl]-3-[(1E,3E)-penta-1,3-dien-1-yl]-2,5-dihydrofuran-2-one > 1.3657625643333333 > 0 > 1 > 0 > 15.376112534898184 > 12.611337412515251 > -2.890860841199964 > 46.53 > 56.717200000000005 > 3 > 1 > 4-[(1S)-1-hydroxyethyl]-3-[(1E,3E)-penta-1,3-dien-1-yl]-5H-furan-2-one > 0 > NP0254287 > 4-[(1s)-1-hydroxyethyl]-3-[(1e,3e)-penta-1,3-dien-1-yl]-5h-furan-2-one $$$$