Mrv0541 01301515192D 46 51 0 0 0 0 999 V2000 6.5500 -4.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8356 -5.1838 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5500 -3.9463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2645 -5.1838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8356 -6.0088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1211 -4.7713 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2645 -3.5338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8356 -3.5338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9790 -4.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5500 -6.4213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1211 -3.9463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4066 -5.1838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9790 -3.9463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2645 -6.0088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5500 -7.2463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6935 -3.5338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9790 -6.4213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2645 -7.6588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4079 -3.9463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6935 -6.0088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9790 -7.2463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4079 -6.4213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6935 -7.6588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4079 -7.2463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1224 -6.0088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1224 -7.6588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8369 -6.4213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8369 -7.2463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5513 -7.6588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5513 -8.4838 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8369 -8.8963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2658 -8.8963 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8369 -9.7213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1224 -8.4838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2658 -9.7213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9803 -8.4838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1224 -10.1338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5513 -10.1338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4079 -8.8963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4079 -9.7213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6935 -10.1338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9790 -9.7213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6935 -8.4838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9790 -8.8963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6935 -5.1838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4079 -4.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 2 5 1 1 0 0 0 2 6 1 0 0 0 0 3 7 2 0 0 0 0 3 8 1 0 0 0 0 4 9 1 0 0 0 0 5 10 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 7 13 1 0 0 0 0 9 45 1 0 0 0 0 10 14 2 0 0 0 0 10 15 1 0 0 0 0 13 16 1 0 0 0 0 14 17 1 0 0 0 0 15 18 2 0 0 0 0 16 19 1 0 0 0 0 17 21 2 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 24 26 1 0 0 0 0 25 27 2 0 0 0 0 26 28 2 0 0 0 0 28 29 1 0 0 0 0 30 29 1 1 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 31 33 1 0 0 0 0 31 34 2 0 0 0 0 32 35 1 0 0 0 0 32 36 1 0 0 0 0 33 37 2 0 0 0 0 33 38 1 0 0 0 0 34 39 1 0 0 0 0 37 40 1 0 0 0 0 39 43 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 8 11 1 0 0 0 0 9 13 2 0 0 0 0 18 21 1 0 0 0 0 27 28 1 0 0 0 0 35 38 1 0 0 0 0 39 40 2 0 0 0 0 43 44 1 0 0 0 0 45 46 1 0 0 0 0 23 24 1 0 0 0 0 M END > CHEBI:4331 > dauricine > A bisbenzylisoquinoline alkaloid resulting from the formal oxidative dimerisation of 4-{[(1R)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}phenol by attachment of the phenolic oxygen of one molecule to the benzene ring of the second (ortho to the phenolic hydroxy group of the latter). > 3 > Dauricine > 4-{[(1R)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-2-(4-{[(1R)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}phenoxy)phenol > C38H44N2O6 > 624.76580 > 624.31994 > 0 > COc1cc2CCN(C)[C@H](Cc3ccc(Oc4cc(C[C@H]5N(C)CCc6cc(OC)c(OC)cc56)ccc4O)cc3)c2cc1OC > InChI=1S/C38H44N2O6/c1-39-15-13-26-20-35(42-3)37(44-5)22-29(26)31(39)17-24-7-10-28(11-8-24)46-34-19-25(9-12-33(34)41)18-32-30-23-38(45-6)36(43-4)21-27(30)14-16-40(32)2/h7-12,19-23,31-32,41H,13-18H2,1-6H3/t31-,32-/m1/s1 > AQASRZOCERRGBL-ROJLCIKYSA-N > 75683 > 524-17-4 > 524-17-4 > C09419 > C00028131 > Dauricine $$$$