Mrv1533004161503252D 27 30 0 0 0 0 999 V2000 4.1401 -1.5268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4256 -1.1143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7112 -1.5268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7112 -2.3518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9967 -2.7643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9967 -3.5893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2822 -2.3518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4976 -2.6067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2427 -3.3913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0127 -1.9393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4976 -1.2718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2427 -0.4872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5643 -0.3157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8192 0.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6262 0.6404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2672 1.0820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5221 1.8666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5398 0.9105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2848 1.6951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8369 2.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5819 3.0928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6438 2.1367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8988 1.3521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3467 0.7390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7947 0.1259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2822 -1.5268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9967 -1.1143 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 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 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 18 24 1 0 0 0 0 18 25 1 0 0 0 0 12 25 1 0 0 0 0 11 26 1 0 0 0 0 7 26 1 0 0 0 0 26 27 2 0 0 0 0 3 27 1 0 0 0 0 M END > NP0327718 > NP-MRD > COC1=CC(O)=C2C(=O)OC(C3CC(O)C(O)C4(OC(C)CC=C4)O3)C2=C1 > InChI=1S/C19H22O8/c1-9-4-3-5-19(26-9)17(22)13(21)8-14(27-19)16-11-6-10(24-2)7-12(20)15(11)18(23)25-16/h3,5-7,9,13-14,16-17,20-22H,4,8H2,1-2H3 > XOJJZYZCRNGOFV-UHFFFAOYSA-N > C19H22O8 > 378.377 > 378.131467668 > 7 > 49 > 37.13018338906873 > 1 > 3 > 0 > 1 > 3-{4,5-dihydroxy-8-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl}-7-hydroxy-5-methoxy-1,3-dihydro-2-benzofuran-1-one > 0.95 > 1.991173528999999 > -2.26 > 0 > 4 > 0 > 12.203866585050624 > 9.465734447616814 > -3.264477194135039 > 114.68000000000002 > 93.6994 > 2 > 1 > 2.07e+00 g/l > 3-{4,5-dihydroxy-8-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl}-7-hydroxy-5-methoxy-3H-2-benzofuran-1-one > 0 > NP0327718 > 3-{4,5-dihydroxy-8-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl}-7-hydroxy-5-methoxy-3h-2-benzofuran-1-one $$$$