Mrv1533004251509532D 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 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 2.1434 -0.4125 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 2.8579 -1.6500 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 3.5724 -2.8875 0.0000 O 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 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 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 9 10 1 0 0 0 0 5 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 3 13 1 0 0 0 0 13 14 1 0 0 0 0 M END > NP0263498 > NP-MRD > COC1=CC(C=CCCO)=CC=C1O > InChI=1S/C11H14O3/c1-14-11-8-9(4-2-3-7-12)5-6-10(11)13/h2,4-6,8,12-13H,3,7H2,1H3 > MIJXQWQIPFIVQE-UHFFFAOYSA-N > C11H14O3 > 194.23 > 194.094294311 > 3 > 28 > 21.218902426425892 > 1 > 2 > 0 > 1 > 4-(4-hydroxybut-1-en-1-yl)-2-methoxyphenol > 1.82 > 1.6432363396666667 > -2.46 > 0 > 1 > 0 > 15.940282540583041 > 10.00750784168873 > -2.387520638563604 > 49.69 > 56.39160000000002 > 4 > 1 > 6.81e-01 g/l > 4-(4-hydroxybut-1-en-1-yl)-2-methoxyphenol > 0 > NP0263498 > 4-(4-hydroxybut-1-en-1-yl)-2-methoxyphenol $$$$