Mrv1652306242117273D 35 37 0 0 0 0 999 V2000 4.3960 -0.8292 1.8817 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9375 0.0254 0.8702 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6049 0.0260 0.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6742 -0.7927 1.0443 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3818 -0.7336 0.6025 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0262 0.1482 -0.4241 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8962 0.9712 -0.9933 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4968 1.9278 -2.0262 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2152 0.9059 -0.5392 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1447 1.7363 -1.1209 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4334 0.0276 -0.7628 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9589 0.5311 -2.0424 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6629 -1.3890 -0.8427 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8203 -1.7868 0.4808 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6092 -1.5565 1.1605 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8891 -0.7733 0.9278 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0484 -0.7834 2.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2598 0.4627 0.4127 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3959 1.5689 0.8570 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8429 -0.6471 2.8115 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4670 -0.5416 2.0897 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3591 -1.9018 1.6077 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9481 -1.4952 1.8465 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7306 1.6405 -3.0667 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2165 2.8154 -1.8783 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4676 2.4363 -1.8726 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0933 2.3953 -1.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8122 -0.1785 -2.3564 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5261 1.4906 -2.0066 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2453 0.4137 -2.8441 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1958 -2.8040 0.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7969 -0.9757 0.3648 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6350 -1.6657 2.6998 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0281 -0.7835 2.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5939 0.1147 2.7164 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 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 9 10 1 0 0 0 0 6 11 1 0 0 0 0 11 12 1 6 0 0 0 11 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 2 0 0 0 0 9 3 1 0 0 0 0 18 11 1 0 0 0 0 15 5 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 4 23 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 10 27 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 14 31 1 6 0 0 0 16 32 1 6 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 M END > NP0016249 > NP-MRD > [H]OC1=C(C2=C(O[C@]3([H])O[C@]2(C(=O)[C@]3([H])C([H])([H])[H])C([H])([H])[H])C([H])=C1OC([H])([H])[H])C([H])([H])[H] > InChI=1S/C14H16O5/c1-6-10-8(5-9(17-4)11(6)15)18-13-7(2)12(16)14(10,3)19-13/h5,7,13,15H,1-4H3/t7-,13+,14+/m0/s1 > YMIDZTIERGUHJW-UQYDATMWSA-N > C14H16O5 > 264.277 > 264.099773615 > 5 > 35 > 26.857261423842406 > 1 > 1 > 0 > 1 > (1R,9R,10R)-4-hydroxy-5-methoxy-1,3,10-trimethyl-8,12-dioxatricyclo[7.2.1.0^{2,7}]dodeca-2(7),3,5-trien-11-one > 1.87 > 2.831548257666667 > -2.25 > 0 > 3 > 0 > 15.476334199888296 > 10.512253132360769 > -4.239287244476487 > 64.99000000000001 > 67.1513 > 1 > 1 > 1.50e+00 g/l > (1R,9R,10R)-4-hydroxy-5-methoxy-1,3,10-trimethyl-8,12-dioxatricyclo[7.2.1.0^{2,7}]dodeca-2(7),3,5-trien-11-one > 0 > NP0016249 > Aspersclerotiorone E $$$$