Mrv0541 04121502102D 16 17 0 0 0 0 999 V2000 4.0668 2.3479 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 3.3523 1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0668 0.6979 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 O 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 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8838 0.0709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6538 1.5229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 2.1904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4243 2.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4743 2.9441 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 2.6378 3.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 7 14 1 0 0 0 0 14 15 2 0 0 0 0 2 15 1 0 0 0 0 15 16 1 0 0 0 0 M END > NP0330400 > NP-MRD > CC1=C2C(C(=O)OC2(C)O)=C(O)C(C)=C1C > InChI=1S/C12H14O4/c1-5-6(2)9-8(10(13)7(5)3)11(14)16-12(9,4)15/h13,15H,1-4H3 > RKKMWSKMQXWDAI-UHFFFAOYSA-N > C12H14O4 > 222.24 > 222.089208931 > 3 > 30 > 22.791150677895857 > 1 > 2 > 0 > 1 > 3,7-dihydroxy-3,4,5,6-tetramethyl-1,3-dihydro-2-benzofuran-1-one > 1.89 > 3.2984877116666667 > -1.56 > 0 > 2 > 0 > 11.376111121040624 > 10.255453725251034 > -4.2514855778321285 > 66.76 > 59.7941 > 0 > 1 > 6.08e+00 g/l > 3,7-dihydroxy-3,4,5,6-tetramethyl-2-benzofuran-1-one > 0 > NP0330400 > 3,7-dihydroxy-3,4,5,6-tetramethyl-2-benzofuran-1-one $$$$