Mrv1533004251514582D 14 15 0 0 0 0 999 V2000 4.0668 3.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0668 2.3479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 1.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 -0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 -0.5396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 -1.3646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 0.8555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6538 1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 2.1904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 1.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 2.3479 0.0000 C 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 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 5 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 9 13 1 0 0 0 0 13 14 2 0 0 0 0 3 14 1 0 0 0 0 M END > NP0207493 > NP-MRD > COC1=CC(CC=C)=C2OCOC2=C1 > InChI=1S/C11H12O3/c1-3-4-8-5-9(12-2)6-10-11(8)14-7-13-10/h3,5-6H,1,4,7H2,2H3 > HFGSPIVAGONERP-UHFFFAOYSA-N > C11H12O3 > 192.214 > 192.078644246 > 3 > 26 > 20.071217521445966 > 1 > 0 > 0 > 1 > 6-methoxy-4-(prop-2-en-1-yl)-2H-1,3-benzodioxole > 2.44 > 2.537378751 > -2.33 > 0 > 2 > 0 > -4.4829446240912265 > 27.69 > 52.5754 > 3 > 1 > 9.05e-01 g/l > 6-methoxy-4-(prop-2-en-1-yl)-2H-1,3-benzodioxole > 1 > NP0207493 > 6-methoxy-4-(prop-2-en-1-yl)-2h-1,3-benzodioxole $$$$