Mrv1652306242107393D 33 35 0 0 0 0 999 V2000 4.2714 1.1734 0.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7453 0.1256 -0.3288 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4782 -0.4214 -0.1046 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3605 -1.7063 0.2022 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0536 -2.3273 0.4319 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9871 -3.5335 0.7352 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1400 -1.5154 0.2992 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4221 -2.0210 0.4795 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6367 -3.3214 0.8270 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5468 -1.1991 0.3077 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3773 0.1131 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4661 0.9514 -0.2211 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7992 0.5176 -0.0563 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0989 0.6201 -0.2249 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0157 -0.1786 -0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3388 0.4766 -0.2090 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4049 1.3337 0.9631 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3229 1.3813 -1.3941 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4228 2.4535 -1.0036 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8753 1.9827 -0.7135 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9041 2.7115 -0.8596 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2762 1.4041 0.0565 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3486 0.8188 1.4916 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6604 2.0915 0.4275 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2414 -2.3148 0.2865 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0571 -4.0731 1.0026 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5089 -1.6568 0.4652 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9632 -0.5241 -0.4047 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5137 1.1442 -0.6422 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0550 0.5629 1.0074 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2809 2.2631 0.7075 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8489 0.8734 -2.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3067 1.7944 -1.6625 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 5 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 11 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 1 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 2 0 0 0 0 16 3 1 0 0 0 0 15 7 1 0 0 0 0 20 14 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 4 25 1 0 0 0 0 9 26 1 0 0 0 0 10 27 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 17 31 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 M END > NP0010642 > NP-MRD > [H]OC1=C2C(=O)C([H])=C(OC([H])([H])[H])[C@]3(O[H])C2=C(C(=O)OC3([H])[H])C(OC([H])([H])[H])=C1[H] > InChI=1S/C14H12O7/c1-19-8-3-6(15)10-7(16)4-9(20-2)14(18)5-21-13(17)11(8)12(10)14/h3-4,15,18H,5H2,1-2H3/t14-/m0/s1 > PHWNDHXZDCXMCU-AWEZNQCLSA-N > C14H12O7 > 292.243 > 292.058302726 > 6 > 33 > 27.003478843750106 > 1 > 2 > 0 > 1 > (5S)-5,10-dihydroxy-6,12-dimethoxy-3-oxatricyclo[7.3.1.0^{5,13}]trideca-1(12),6,9(13),10-tetraene-2,8-dione > 0.88 > 0.39050918833333287 > -2.19 > 0 > 3 > 0 > 11.712223132666825 > 7.65216950220235 > -4.29260200757722 > 102.29 > 71.81500000000001 > 2 > 1 > 1.89e+00 g/l > (5S)-5,10-dihydroxy-6,12-dimethoxy-3-oxatricyclo[7.3.1.0^{5,13}]trideca-1(12),6,9(13),10-tetraene-2,8-dione > 0 > NP0010642 > Preussochromone C $$$$