Mrv1652306242107393D 38 40 0 0 0 0 999 V2000 -4.3496 -2.4067 -0.0602 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3820 -1.4919 0.4309 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5442 -0.8114 -0.4329 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6588 -1.0212 -1.6629 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5426 0.1330 0.0462 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5082 0.2820 1.4123 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8195 1.5229 -0.5413 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9394 1.4680 -1.9251 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5481 2.2432 -0.1425 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3888 3.5410 -0.8692 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5089 1.2200 -0.5450 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6537 1.3448 0.2397 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5623 0.3425 0.5219 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8987 0.5224 0.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7687 -0.5364 1.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2196 -1.7936 1.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8564 -2.0196 0.8689 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3814 -3.3021 0.9467 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0365 -0.9430 0.5925 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6072 -1.0858 0.3647 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0267 -2.0435 0.8994 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1596 -0.1294 -0.4777 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8982 -3.3960 -0.2898 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2158 -2.4852 0.6314 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7720 -2.0233 -1.0207 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3577 0.0271 1.8642 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7173 1.9716 -0.0894 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1149 1.1784 -2.3495 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5642 2.3665 0.9611 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4027 3.9940 -0.9746 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1869 4.2349 -0.2191 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0690 3.3909 -1.8518 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8059 1.4297 -1.6126 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2998 1.5146 0.6746 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8170 -0.3227 1.1672 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 -2.6243 1.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5045 -3.6991 0.8372 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1862 -0.5922 -1.5055 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 3 5 1 0 0 0 0 5 6 1 1 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 5 1 0 0 0 0 22 11 1 0 0 0 0 19 13 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 6 26 1 0 0 0 0 7 27 1 1 0 0 0 8 28 1 0 0 0 0 9 29 1 1 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 33 1 6 0 0 0 14 34 1 0 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0 18 37 1 0 0 0 0 22 38 1 6 0 0 0 M END > NP0010643 > NP-MRD > [H]OC1=C2C(O[C@@]3([H])[C@@]([H])(C2=O)[C@](O[H])(C(=O)OC([H])([H])[H])[C@]([H])(O[H])[C@]3([H])C([H])([H])[H])=C([H])C([H])=C1[H] > InChI=1S/C15H16O7/c1-6-12-10(15(20,13(6)18)14(19)21-2)11(17)9-7(16)4-3-5-8(9)22-12/h3-6,10,12-13,16,18,20H,1-2H3/t6-,10-,12-,13-,15-/m1/s1 > FHOZFIROEVROQO-BIBPAEJJSA-N > C15H16O7 > 308.286 > 308.089602855 > 6 > 38 > 29.773825865278383 > 1 > 3 > 0 > 1 > methyl (3R,4S,5R,6R,7R)-5,6,10-trihydroxy-4-methyl-8-oxo-2-oxatricyclo[7.4.0.0^{3,7}]trideca-1(13),9,11-triene-6-carboxylate > 0.56 > 0.6291956943333336 > -0.93 > 0 > 3 > 0 > 9.937143110329773 > 7.364041919908248 > -3.4843609873751697 > 113.29000000000002 > 72.9036 > 2 > 1 > 3.59e+01 g/l > methyl (3R,4S,5R,6R,7R)-5,6,10-trihydroxy-4-methyl-8-oxo-2-oxatricyclo[7.4.0.0^{3,7}]trideca-1(13),9,11-triene-6-carboxylate > 0 > NP0010643 > Preussochromone D $$$$