Marvin 01180815492D 49 54 0 0 0 0 999 V2000 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4289 -1.6500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0000 -1.6500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8860 -2.0445 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7065 -2.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0420 -1.3770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1914 -2.7982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8625 -1.2908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3475 -1.9582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0119 -2.7119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5322 -3.4213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3291 -3.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4289 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8579 -0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5724 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4303 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4303 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12 1 1 0 0 0 0 12 10 1 0 0 0 0 12 4 1 0 0 0 0 1 2 1 0 0 0 0 2 14 1 0 0 0 0 13 10 1 0 0 0 0 10 3 1 0 0 0 0 3 8 1 0 0 0 0 6 4 1 0 0 0 0 5 6 1 0 0 0 0 8 6 1 0 0 0 0 8 24 1 0 0 0 0 24 30 1 0 0 0 0 30 29 1 0 0 0 0 29 5 1 0 0 0 0 6 7 1 6 0 0 0 8 9 1 6 0 0 0 10 11 1 1 0 0 0 15 13 1 0 0 0 0 14 13 2 0 0 0 0 17 14 1 0 0 0 0 15 16 1 0 0 0 0 18 16 1 0 0 0 0 16 17 2 0 0 0 0 17 19 1 0 0 0 0 21 18 2 0 0 0 0 21 20 1 0 0 0 0 19 20 2 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 24 26 1 1 0 0 0 26 25 2 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 29 33 1 1 0 0 0 30 31 1 6 0 0 0 31 32 1 0 0 0 0 33 35 1 0 0 0 0 35 34 2 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 39 38 2 0 0 0 0 38 40 1 0 0 0 0 42 39 1 0 0 0 0 42 41 2 0 0 0 0 40 43 2 0 0 0 0 43 41 1 0 0 0 0 41 44 1 0 0 0 0 42 46 1 0 0 0 0 43 48 1 0 0 0 0 44 45 1 0 0 0 0 46 47 1 0 0 0 0 48 49 1 0 0 0 0 M END > CHEBI:28572 > rescinnamine > 3 > CHEBI:8807; CHEBI:26530 > Trimethoxy cinnamoyl reserpate de methyl; Rescinnamine; 3,4,5-Trimethoxycinnamoyl methyl reserpate > methyl 11,17alpha-dimethoxy-18beta-{[(2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy}-3beta,20alpha-yohimban-16beta-carboxylate > Tsuruselpi S > C35H42N2O9 > 634.71606 > 634.28903 > 0 > [H][C@]12C[C@@H](OC(=O)\C=C\c3cc(OC)c(OC)c(OC)c3)[C@H](OC)[C@@H](C(=O)OC)[C@@]1([H])C[C@@]1([H])N(CCc3c1[nH]c1cc(OC)ccc31)C2 > InChI=1S/C35H42N2O9/c1-40-21-8-9-22-23-11-12-37-18-20-15-29(46-30(38)10-7-19-13-27(41-2)33(43-4)28(14-19)42-3)34(44-5)31(35(39)45-6)24(20)17-26(37)32(23)36-25(22)16-21/h7-10,13-14,16,20,24,26,29,31,34,36H,11-12,15,17-18H2,1-6H3/b10-7+/t20-,24+,26-,29-,31+,34+/m1/s1 > SZLZWPPUNLXJEA-QEGASFHISA-N > 75328 > 24815-24-5 > DB01180 > C06540 > D00198 > C00001762 > Rescinnamine $$$$