Mrv0541 10081413132D 60 65 0 0 0 0 999 V2000 5.7083 -5.7125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5292 -5.6917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2625 -7.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9333 -3.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4708 -6.5042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7667 -4.9083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4042 -7.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6917 -6.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5458 -4.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0917 -4.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1458 -6.9750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5458 -8.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6250 -3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3042 -7.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8333 -7.5875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1167 -8.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9792 -8.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1958 -3.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2667 -6.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9708 -4.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3583 -3.6792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4375 -4.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8042 -6.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7875 -3.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6917 -7.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9833 -6.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2750 -5.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5042 -3.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0542 -3.2333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8208 -4.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5542 -4.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2500 -4.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0167 -7.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4750 -3.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2083 -3.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3042 -8.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1125 -8.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1542 -2.5458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9792 -8.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7042 -4.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5542 -6.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -6.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0125 -2.4083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5917 -5.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9833 -4.7458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7333 -7.9958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8333 -6.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4000 -4.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1333 -4.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1208 -6.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3000 -6.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0167 -6.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0167 -9.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7417 -5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8458 -2.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5583 -5.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6917 -9.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3250 -6.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3542 -5.6875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8792 -5.7083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 19 2 0 0 0 0 4 18 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 16 1 0 0 0 0 5 8 1 1 0 0 0 6 9 1 1 0 0 0 10 22 1 0 0 0 0 11 5 1 0 0 0 0 12 3 1 0 0 0 0 13 4 1 0 0 0 0 14 7 1 0 0 0 0 15 12 1 6 0 0 0 16 15 1 0 0 0 0 17 25 2 0 0 0 0 18 28 2 0 0 0 0 19 26 1 0 0 0 0 20 27 1 0 0 0 0 21 13 1 6 0 0 0 22 1 1 0 0 0 0 23 2 1 0 0 0 0 24 29 1 0 0 0 0 25 8 1 0 0 0 0 26 8 2 0 0 0 0 27 9 2 0 0 0 0 28 9 1 0 0 0 0 29 21 1 0 0 0 0 30 24 2 0 0 0 0 31 30 1 0 0 0 0 32 35 1 0 0 0 0 33 14 2 0 0 0 0 34 24 1 0 0 0 0 35 34 2 0 0 0 0 36 14 1 0 0 0 0 16 37 1 6 0 0 0 38 18 1 0 0 0 0 39 17 1 0 0 0 0 40 20 1 0 0 0 0 41 19 1 0 0 0 0 42 7 2 0 0 0 0 29 43 1 6 0 0 0 44 31 1 0 0 0 0 45 32 1 0 0 0 0 46 33 1 0 0 0 0 47 15 1 0 0 0 0 48 21 1 0 0 0 0 49 48 1 0 0 0 0 50 47 1 0 0 0 0 51 42 1 0 0 0 0 52 33 1 0 0 0 0 53 36 1 0 0 0 0 54 40 1 0 0 0 0 55 38 1 0 0 0 0 56 41 1 0 0 0 0 57 39 1 0 0 0 0 58 44 1 0 0 0 0 2 59 1 1 0 0 0 1 60 1 1 0 0 0 23 11 1 0 0 0 0 10 6 1 0 0 0 0 17 3 1 0 0 0 0 4 20 2 0 0 0 0 52 51 2 0 0 0 0 32 31 2 0 0 0 0 M END > CHEBI:67637 > (+)-(7R,7'R,7''R,7'''R,8S,8'S,8''S,8'''S)-4'',4'''-dihydroxy-3,3',3'',3''',5,5'-hexamethoxy-7,9':7',9-diepoxy-4,8'':4',8'''-bisoxy-8,8'-dineolignan-7'',7''',9'',9'''-tetraol > A neolignan isolated from the stems of Sinocalamus affinis. > 3 > (1R,2SS)-2-{4-[(1R,3aS,4R,6aS)-4-(4-{[(1R,2S)-1,3-dihydroxy-1-(3-hydroxy-2-methoxyphenyl)propan-2-yl]oxy}-3,5-dimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-2,6-dimethoxyphenoxy}-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol > C42H50O16 > 810.83680 > 810.30989 > 0 > COc1cc(ccc1O)[C@@H](O)[C@H](CO)Oc1c(OC)cc(cc1OC)[C@@H]1OC[C@@H]2[C@H]1CO[C@H]2c1cc(OC)c(O[C@@H](CO)[C@H](O)c2cccc(O)c2OC)c(OC)c1 > InChI=1S/C42H50O16/c1-49-29-12-21(10-11-27(29)45)36(47)34(17-43)57-41-30(50-2)13-22(14-31(41)51-3)38-25-19-56-39(26(25)20-55-38)23-15-32(52-4)42(33(16-23)53-5)58-35(18-44)37(48)24-8-7-9-28(46)40(24)54-6/h7-16,25-26,34-39,43-48H,17-20H2,1-6H3/t25-,26-,34+,35+,36-,37-,38+,39+/m1/s1 > NQKMDFWGODIBLN-HMGMMLPRSA-N > 21469695 $$$$