Mrv0541 11051311062D 34 37 0 0 0 0 999 V2000 6.6959 -6.2784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2836 -5.6975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6959 -7.1041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1058 -5.6957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8735 -4.9800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2785 -7.6882 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9877 -5.8631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2871 -4.2661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2738 -6.2752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6885 -6.2797 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1043 -7.6883 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1109 -4.2698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6885 -7.1055 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5231 -4.9839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9802 -7.5106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2664 -7.0970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9604 -8.4446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0359 -3.4834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3686 -3.4851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4623 -9.0984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7040 -2.9988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2751 -8.9918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0991 -4.6946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7102 -5.0850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5563 -5.8597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4546 -5.9720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5545 -7.5055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4141 -8.4507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4484 -7.4257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1441 -9.8549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9590 -3.8825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8935 -4.9380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8444 -6.2681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5486 -8.3329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 1 3 1 1 0 0 0 4 2 2 0 0 0 0 2 5 1 1 0 0 0 6 3 1 0 0 0 0 7 1 2 0 0 0 0 8 5 2 0 0 0 0 9 7 1 0 0 0 0 10 4 1 0 0 0 0 11 6 1 0 0 0 0 12 14 2 0 0 0 0 13 10 1 0 0 0 0 14 4 1 0 0 0 0 15 3 2 0 0 0 0 16 15 1 1 0 0 0 6 17 1 1 0 0 0 18 8 1 0 0 0 0 19 12 1 0 0 0 0 20 17 1 0 0 0 0 21 18 1 0 0 0 0 22 20 2 0 0 0 0 23 5 1 0 0 0 0 24 7 1 0 0 0 0 25 9 1 0 0 0 0 10 26 1 6 0 0 0 27 16 1 0 0 0 0 11 28 1 6 0 0 0 13 29 1 6 0 0 0 30 20 1 0 0 0 0 31 23 1 0 0 0 0 32 24 1 0 0 0 0 33 25 1 0 0 0 0 34 27 1 0 0 0 0 9 16 2 0 0 0 0 13 11 1 0 0 0 0 12 8 1 1 0 0 0 21 19 1 0 0 0 0 M END > CHEBI:67442 > ananolignan E > A lignan with a dibenzocyclooctadiene skeleton isolated from Kadsura ananosma. > 3 > (5R,6S,7R,8R)-8-hydroxy-1,2,3,13-tetramethoxy-6,7-dimethyl-5,6,7,8-tetrahydrobenzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxol-5-yl acetate > C25H30O9 > 474.50030 > 474.18898 > 0 > COc1cc2[C@H](OC(C)=O)[C@@H](C)[C@@H](C)[C@@H](O)c3cc4OCOc4c(OC)c3-c2c(OC)c1OC > InChI=1S/C25H30O9/c1-11-12(2)21(34-13(3)26)15-9-16(28-4)22(29-5)24(30-6)19(15)18-14(20(11)27)8-17-23(25(18)31-7)33-10-32-17/h8-9,11-12,20-21,27H,10H2,1-7H3/t11-,12+,20-,21-/m1/s1 > PPTXQFNYNVVYPV-HBJRXTQZSA-N > 21534260 > 21381710 $$$$