Mrv1652306242120043D 65 67 0 0 0 0 999 V2000 -7.6725 0.3686 1.2263 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2063 -0.0432 -0.0600 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9364 0.3221 -0.4826 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8187 -0.4970 -0.2166 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0650 -1.7306 0.5214 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5754 -0.1404 -0.6299 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3949 -0.9950 -0.3557 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2705 -1.0792 1.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5408 -2.2581 -0.9329 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1591 -0.4114 -0.9236 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0148 -0.9540 -0.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1929 -2.1807 0.0864 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2648 -0.3264 -1.3218 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9363 0.8270 -2.0286 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2240 0.0562 -0.2269 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7215 1.0273 0.7636 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4302 -0.4317 -0.1428 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3414 -0.0358 0.9407 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7691 -0.3971 2.2912 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7108 1.3011 0.9105 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8680 1.4347 0.1862 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6578 1.4623 -1.3092 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6376 0.1400 0.4915 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9602 -0.0422 -0.1819 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5935 -0.3194 1.8076 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6765 -0.7936 0.8278 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4058 0.9766 -1.2837 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3944 1.7885 -1.5677 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1893 2.8553 -2.1995 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6731 1.4854 -1.1785 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7920 2.4120 -1.5043 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3245 -0.4129 1.6778 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2656 1.2987 1.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8172 0.5854 1.9128 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1619 -2.0229 0.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9298 -1.6351 1.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5391 -2.6073 0.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2432 -0.7701 1.4878 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9389 -0.3279 1.6668 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5802 -2.0601 1.5607 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3930 -2.1717 -1.8997 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2749 0.5098 -1.5315 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8887 -2.8677 -0.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7715 -1.9639 1.0296 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6995 -2.7649 0.2846 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7702 -1.0371 -1.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0100 0.6975 -3.0138 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8389 1.6079 0.3605 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4614 1.7986 1.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2975 0.4998 1.6548 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7182 -1.1512 -0.9274 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3775 0.4909 2.8302 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5230 -0.9471 2.8848 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9605 -1.1617 2.0976 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5232 2.2534 0.5317 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8659 2.4633 -1.7414 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2267 0.6664 -1.8326 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5811 1.2488 -1.5294 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4000 0.9862 -0.3209 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9063 -0.4939 -1.1837 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7103 -0.5686 0.4704 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6090 -1.8760 0.7007 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1690 2.9546 -0.6119 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4244 3.1733 -2.2165 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5838 1.7846 -1.9723 H 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 1 0 0 0 0 4 5 1 0 0 0 0 4 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 6 0 0 0 7 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 18 17 1 6 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 6 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 6 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 30 3 2 0 0 0 0 26 18 1 0 0 0 0 26 23 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 41 1 0 0 0 0 10 42 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 12 45 1 0 0 0 0 13 46 1 6 0 0 0 14 47 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 16 50 1 0 0 0 0 17 51 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 19 54 1 0 0 0 0 21 55 1 1 0 0 0 22 56 1 0 0 0 0 22 57 1 0 0 0 0 22 58 1 0 0 0 0 24 59 1 0 0 0 0 24 60 1 0 0 0 0 24 61 1 0 0 0 0 26 62 1 6 0 0 0 31 63 1 0 0 0 0 31 64 1 0 0 0 0 31 65 1 0 0 0 0 M END > NP0014528 > NP-MRD > [H]O[C@]([H])(C(=C(/[H])[C@](O[H])(C1=C(C(OC([H])([H])[H])=C(C(=O)O1)C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])\C([H])([H])[H])C(=C(/[H])[C@@]1(O[C@]([H])(C([H])([H])[H])[C@]2(O[C@@]12[H])C([H])([H])[H])C([H])([H])[H])\C([H])([H])[H] > InChI=1S/C24H34O7/c1-12(10-22(6,27)19-14(3)18(28-9)15(4)20(26)29-19)17(25)13(2)11-23(7)21-24(8,31-21)16(5)30-23/h10-11,16-17,21,25,27H,1-9H3/b12-10+,13-11+/t16-,17-,21+,22+,23+,24-/m1/s1 > YAEGHQJYDLCTMR-WMYFJUEFSA-N > C24H34O7 > 434.529 > 434.230453435 > 6 > 65 > 47.77907804877236 > 1 > 2 > 0 > 1 > 6-[(2S,3E,5R,6E)-2,5-dihydroxy-4,6-dimethyl-7-[(1S,2S,4R,5R)-2,4,5-trimethyl-3,6-dioxabicyclo[3.1.0]hexan-2-yl]hepta-3,6-dien-2-yl]-4-methoxy-3,5-dimethyl-2H-pyran-2-one > 2.96 > 2.225102187666667 > -4.15 > 1 > 3 > 0 > 14.101157183785048 > 13.223130963095358 > -3.232816738647064 > 97.75 > 119.06779999999999 > 6 > 1 > 3.07e-02 g/l > 6-[(2S,3E,5R,6E)-2,5-dihydroxy-4,6-dimethyl-7-[(1S,2S,4R,5R)-2,4,5-trimethyl-3,6-dioxabicyclo[3.1.0]hexan-2-yl]hepta-3,6-dien-2-yl]-4-methoxy-3,5-dimethylpyran-2-one > 0 > NP0014528 > Penicyrone A $$$$