Mrv1652304292201152D 28 31 0 0 1 0 999 V2000 -0.4849 -0.6674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -1.3349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7846 -1.0799 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7846 -0.2549 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0000 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2549 0.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0619 0.9561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3168 1.7408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7648 2.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0422 2.1823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2971 1.3977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5942 2.7954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4012 2.6239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0198 3.1385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4677 3.7516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5692 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0542 -0.6674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5692 -1.3349 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8242 -2.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6312 -2.2910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8861 -3.0756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3341 -3.6887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5271 -3.5172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2721 -2.7326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9751 -4.1303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1681 -3.9588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5890 -4.4734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3960 -4.6449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 2 1 1 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 1 5 1 0 0 0 0 5 6 1 1 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 6 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 9 14 1 0 0 0 0 14 15 1 0 0 0 0 4 16 1 1 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 3 18 1 0 0 0 0 18 19 1 1 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 19 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 22 27 1 0 0 0 0 27 28 1 0 0 0 0 M END > NP0078136 > NP-MRD > COC1=CC=C(C=C1OC)[C@@H]1OC[C@H]2[C@@H]1CO[C@H]2C1=CC=C(OC)C(OC)=C1 > InChI=1S/C22H26O6/c1-23-17-7-5-13(9-19(17)25-3)21-15-11-28-22(16(15)12-27-21)14-6-8-18(24-2)20(10-14)26-4/h5-10,15-16,21-22H,11-12H2,1-4H3/t15-,16-,21-,22-/m0/s1 > PEUUVVGQIVMSAW-QDGJQWLKSA-N > C22H26O6 > 386.444 > 386.172938557 > 6 > 54 > 42.108175231835844 > 1 > 0 > 0 > 1 > (1R,3aR,4R,6aR)-1,4-bis(3,4-dimethoxyphenyl)-hexahydrofuro[3,4-c]furan > 2.97 > 2.569547659333333 > -4.85 > 1 > 4 > 0 > -3.7383009447365905 > 55.38000000000001 > 104.06480000000002 > 6 > 1 > 5.46e-03 g/l > (1R,3aR,4R,6aR)-1,4-bis(3,4-dimethoxyphenyl)-hexahydrofuro[3,4-c]furan > 0 > NP0078136 > (+)-Diaeudesmin $$$$