Mrv0541 05061308202D 14 15 0 0 0 0 999 V2000 4.7812 3.5854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 -0.5396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 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 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 2.3479 0.0000 C 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 3.3523 1.9354 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 1.9233 1.9354 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 2.6378 -0.1271 0.0000 O 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 1.1387 0.8555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 4 3 2 0 0 0 0 8 4 1 0 0 0 0 8 5 2 0 0 0 0 8 6 1 0 0 0 0 9 5 1 0 0 0 0 10 6 2 0 0 0 0 11 9 2 0 0 0 0 11 10 1 0 0 0 0 12 2 1 0 0 0 0 12 9 1 0 0 0 0 13 7 1 0 0 0 0 13 10 1 0 0 0 0 14 7 1 0 0 0 0 14 11 1 0 0 0 0 M END > NP0048194 > NP-MRD > COC1=C2OCOC2=CC(\C=C\C)=C1 > InChI=1S/C11H12O3/c1-3-4-8-5-9(12-2)11-10(6-8)13-7-14-11/h3-6H,7H2,1-2H3/b4-3+ > DHUZAAUGHUHIDS-ONEGZZNKSA-N > C11H12O3 > 192.2112 > 192.07864425 > 3 > 20.708498627414983 > 1 > 0 > 0 > 1 > 4-methoxy-6-[(1E)-prop-1-en-1-yl]-2H-1,3-benzodioxole > 2.68 > 2.562145080666667 > -2.64 > 0 > 2 > 0 > -4.539030515253374 > 27.69 > 53.647900000000014 > 2 > 1 > 4.40e-01 g/l > 4-methoxy-6-[(1E)-prop-1-en-1-yl]-2H-1,3-benzodioxole > 1 > NP0048194 > Isomyristicin $$$$