Mrv1652304282200592D 20 21 0 0 1 0 999 V2000 2.0701 1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3556 0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6411 1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6411 1.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3556 2.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0701 1.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7845 2.3479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7845 3.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4990 3.5854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2135 3.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9279 3.5854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2135 2.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1435 2.1904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3984 2.9750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6284 1.5229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1435 0.8555 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3984 0.0709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3556 -0.1271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6411 -0.5396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7845 0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 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 2 0 0 0 0 1 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 4 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 3 16 1 0 0 0 0 16 17 1 6 0 0 0 2 18 1 0 0 0 0 18 19 1 0 0 0 0 1 20 1 0 0 0 0 M END > NP0051748 > NP-MRD > COC1=C(C)C(OCC=C(C)C)=CC2=C1[C@H](O)OC2=O > InChI=1S/C15H18O5/c1-8(2)5-6-19-11-7-10-12(13(18-4)9(11)3)15(17)20-14(10)16/h5,7,15,17H,6H2,1-4H3/t15-/m1/s1 > CYYPEFYKFZTPFE-OAHLLOKOSA-N > C15H18O5 > 278.304 > 278.11542368 > 4 > 38 > 29.148265071055093 > 1 > 1 > 0 > 1 > (3R)-3-hydroxy-4-methoxy-5-methyl-6-[(3-methylbut-2-en-1-yl)oxy]-1,3-dihydro-2-benzofuran-1-one > 2.01 > 2.723051087333334 > -3.04 > 0 > 2 > 0 > 16.106434795659894 > 11.015737254693693 > -4.540769134166269 > 64.99000000000001 > 74.75359999999999 > 4 > 1 > 2.54e-01 g/l > (3R)-3-hydroxy-4-methoxy-5-methyl-6-[(3-methylbut-2-en-1-yl)oxy]-3H-2-benzofuran-1-one > 0 > NP0051748 > Zinnolide $$$$