Mrv1652306242107393D 32 33 0 0 0 0 999 V2000 5.7008 -0.2287 -0.5496 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2902 -0.0795 -0.1085 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2665 -0.0587 -0.9301 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8705 0.0922 -0.4509 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8774 0.1073 -1.3145 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4838 0.2553 -0.8353 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5049 0.1572 -1.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8937 0.2956 -1.2882 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7999 0.1689 -2.1487 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1462 0.5815 0.1460 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.5277 0.1871 0.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0738 -0.1907 0.9149 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3480 -0.2789 2.2573 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7707 0.5150 0.6115 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3377 -0.0038 1.4928 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6036 0.2178 0.9044 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8832 -1.3128 -0.7862 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3724 0.0911 0.2802 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8766 0.3603 -1.4547 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0630 0.0203 0.9531 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4407 -0.1537 -1.9861 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1335 0.0054 -2.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2982 -0.0323 -2.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9506 1.6754 0.2845 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5001 -0.4128 1.5258 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1006 1.1147 0.8163 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0776 -0.3424 -0.2031 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9779 -1.2252 0.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8387 0.4324 2.7165 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8826 1.6252 0.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2005 -1.0549 1.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2581 0.5751 2.4567 H 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 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 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 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 4 1 0 0 0 0 14 6 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 20 1 0 0 0 0 3 21 1 0 0 0 0 5 22 1 0 0 0 0 7 23 1 0 0 0 0 10 24 1 6 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 28 1 6 0 0 0 13 29 1 0 0 0 0 14 30 1 6 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 M END > NP0010621 > NP-MRD > [H]O[C@@]1([H])[C@@]([H])(C(=O)C([H])=C2C([H])=C(OC([H])([H])[C@]12[H])C(\[H])=C(/[H])C([H])([H])[H])C([H])([H])[H] > InChI=1S/C13H16O3/c1-3-4-10-5-9-6-12(14)8(2)13(15)11(9)7-16-10/h3-6,8,11,13,15H,7H2,1-2H3/b4-3+/t8-,11+,13+/m1/s1 > CHORXUQBNMRTBR-HKBNWMJQSA-N > C13H16O3 > 220.268 > 220.109944375 > 3 > 32 > 23.928610599767858 > 1 > 1 > 0 > 1 > (7S,8R,8aR)-8-hydroxy-7-methyl-3-[(1E)-prop-1-en-1-yl]-6,7,8,8a-tetrahydro-1H-isochromen-6-one > 1.47 > 1.0263940796666666 > -1.89 > 0 > 2 > 0 > 15.954028603524986 > 14.214440636765477 > -3.07711142064755 > 46.53 > 65.0336 > 1 > 1 > 2.85e+00 g/l > (7S,8R,8aR)-8-hydroxy-7-methyl-3-[(1E)-prop-1-en-1-yl]-1,7,8,8a-tetrahydroisochromen-6-one > 0 > NP0010621 > Berkazaphilone A $$$$