Mrv1652309022206152D 28 33 0 0 1 0 999 V2000 -0.4388 -3.6899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2756 -4.1024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2756 -4.9274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9901 -5.3399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7046 -4.9274 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7908 -4.1069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5978 -3.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0103 -4.6499 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7640 -4.9854 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4784 -4.5729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4784 -3.7479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1929 -3.3354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9074 -3.7479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9074 -4.5729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1929 -4.9854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6920 -4.8279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1769 -4.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6920 -3.4930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6777 -5.8059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8708 -5.9774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4583 -5.2630 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9901 -6.1649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2756 -6.5774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4388 -6.1649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4388 -5.3399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2234 -5.0850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7084 -5.7524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2234 -6.4198 0.0000 O 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 5 4 1 1 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 8 7 1 6 0 0 0 8 9 1 0 0 0 0 9 10 1 1 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 10 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 13 18 1 0 0 0 0 9 19 1 0 0 0 0 19 20 1 0 0 0 0 21 20 1 6 0 0 0 5 21 1 0 0 0 0 8 21 1 0 0 0 0 4 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 3 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 24 28 1 0 0 0 0 M END > NP0332267 > NP-MRD > COC1=C(C=CC2=C1OCO2)[C@H]1OC[C@H]2[C@@H]1CO[C@@H]2C1=CC=C2OCOC2=C1 > InChI=1S/C21H20O7/c1-22-20-12(3-5-16-21(20)28-10-26-16)19-14-8-23-18(13(14)7-24-19)11-2-4-15-17(6-11)27-9-25-15/h2-6,13-14,18-19H,7-10H2,1H3/t13-,14-,18+,19+/m0/s1 > SLXJYSPIZFGDMP-YXUGBTPSSA-N > C21H20O7 > 384.384 > 384.120902984 > 7 > 48 > 39.36107395407184 > 1 > 0 > 0 > 1 > 5-[(1S,3aR,4S,6aR)-4-(2H-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-yl]-4-methoxy-2H-1,3-benzodioxole > 2.24 > 2.289028391666667 > -3.83 > 0 > 6 > 0 > -3.7494964175223378 > 64.61000000000001 > 96.20900000000002 > 3 > 1 > 5.63e-02 g/l > 5-[(1S,3aR,4S,6aR)-4-(2H-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-yl]-4-methoxy-2H-1,3-benzodioxole > 0 > NP0332267 > 2-Methoxysesamin $$$$