Marvin 06061316502D 43 48 0 0 1 0 999 V2000 8.1119 -9.9340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8245 -9.5217 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1083 -10.7587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3994 -9.5181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8280 -8.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4994 -9.9412 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3994 -11.1746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8173 -11.1781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6797 -9.9340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5479 -8.2884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5225 -10.7587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2567 -9.5398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6797 -10.7587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9635 -9.5181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2567 -8.7079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5479 -7.4637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9635 -11.1746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9765 -8.2956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2640 -7.0514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2510 -10.7659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6854 -8.7079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9802 -7.4673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4015 -8.2992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6927 -7.0622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4052 -7.4745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1142 -8.7187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1214 -7.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8339 -8.3065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8339 -7.4818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5500 -7.0732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5536 -6.2484 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.2662 -5.8361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8411 -5.8288 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.2284 -5.0078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9823 -6.2484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8556 -5.0078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9823 -4.5918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5609 -4.5918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6984 -5.8361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6984 -5.0078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4147 -6.2521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4147 -4.5918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1271 -5.0041 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 14 1 0 0 0 0 10 15 2 0 0 0 0 10 16 1 0 0 0 0 13 17 1 0 0 0 0 15 18 1 0 0 0 0 16 19 2 0 0 0 0 17 20 1 0 0 0 0 18 21 1 0 0 0 0 18 22 2 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 25 27 1 0 0 0 0 26 28 2 0 0 0 0 27 29 2 0 0 0 0 29 30 1 0 0 0 0 31 30 1 6 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 32 34 1 0 0 0 0 32 35 2 0 0 0 0 33 36 1 0 0 0 0 34 37 2 0 0 0 0 34 38 1 0 0 0 0 35 39 1 0 0 0 0 37 40 1 0 0 0 0 39 41 1 0 0 0 0 40 42 1 0 0 0 0 42 43 1 0 0 0 0 8 11 1 0 0 0 0 9 13 2 0 0 0 0 19 22 1 0 0 0 0 28 29 1 0 0 0 0 36 38 1 0 0 0 0 39 40 2 0 0 0 0 M END > CHEBI:845 > 2'-norberbamunine > A benzylisoquinoline alkaloid that is berbamunine in which the methyl group is replaced with a hydrogen on one of the tetrahydroisoquinolinol rings. > 3 > (1R)-1-[4-hydroxy-3-(4-{[(1S)-7-hydroxy-6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}phenoxy)benzyl]-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol > C35H38N2O6 > 582.68600 > 582.27299 > 0 > COc1cc2CCN[C@@H](Cc3ccc(Oc4cc(C[C@H]5N(C)CCc6cc(OC)c(O)cc56)ccc4O)cc3)c2cc1O > InChI=1S/C35H38N2O6/c1-37-13-11-24-18-34(42-3)32(40)20-27(24)29(37)15-22-6-9-30(38)35(16-22)43-25-7-4-21(5-8-25)14-28-26-19-31(39)33(41-2)17-23(26)10-12-36-28/h4-9,16-20,28-29,36,38-40H,10-15H2,1-3H3/t28-,29+/m0/s1 > MLNXJBWXCQOCIN-URLMMPGGSA-N > C06512 > 8380416 $$$$