Mrv1652309082215072D 14 14 0 0 0 0 999 V2000 -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 0 0 0 0 0 0 0 0 0 0 2.6329 0.3323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4175 0.5872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5891 1.3942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0306 0.0352 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 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 6 5 1 4 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 0 0 0 0 5 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 4 13 1 0 0 0 0 13 14 2 0 0 0 0 M END > NP0268113 > NP-MRD > CC=CC1=C(COC1=O)C=CC(C)O > InChI=1S/C11H14O3/c1-3-4-10-9(6-5-8(2)12)7-14-11(10)13/h3-6,8,12H,7H2,1-2H3 > YMVSQSLGMRTXPS-UHFFFAOYSA-N > C11H14O3 > 194.23 > 194.094294311 > 2 > 28 > 21.00952107372079 > 1 > 1 > 0 > 1 > 4-(3-hydroxybut-1-en-1-yl)-3-(prop-1-en-1-yl)-2,5-dihydrofuran-2-one > 1.3657625643333333 > 0 > 1 > 0 > 16.949952676976068 > 13.591107161361272 > -1.9458865372580028 > 46.53 > 56.71720000000001 > 3 > 1 > 4-(3-hydroxybut-1-en-1-yl)-3-(prop-1-en-1-yl)-5H-furan-2-one > 0 > NP0268113 > 4-(3-hydroxybut-1-en-1-yl)-3-(prop-1-en-1-yl)-5h-furan-2-one $$$$