ChEBI 26 31 0 0 1 0 0 0 0 0 2 V2000 15.8403 -12.4695 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 13.5368 -12.4695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5368 -13.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6886 -11.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8403 -13.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6886 -14.4645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3850 -11.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3850 -14.4645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2332 -13.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2332 -12.4695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9921 -10.4746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8403 -9.8096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9921 -11.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6886 -10.4746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1439 -9.8096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8403 -8.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9921 -7.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1439 -8.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4087 -10.2206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1905 -9.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4087 -8.0687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9684 -12.0586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1867 -13.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9684 -14.2105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9921 -13.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5368 -11.1396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 13 1 1 0 0 0 0 1 25 1 1 0 0 0 3 2 2 0 0 0 0 4 2 1 0 0 0 0 7 2 1 0 0 0 0 6 3 1 0 0 0 0 8 3 1 0 0 0 0 4 14 1 0 0 0 0 6 5 1 0 0 0 0 10 7 2 0 0 0 0 9 8 2 0 0 0 0 10 9 1 0 0 0 0 24 9 1 0 0 0 0 22 10 1 0 0 0 0 12 11 2 0 0 0 0 13 11 1 0 0 0 0 15 11 1 0 0 0 0 14 12 1 0 0 0 0 16 12 1 0 0 0 0 18 15 2 0 0 0 0 19 15 1 0 0 0 0 17 16 2 0 0 0 0 18 17 1 0 0 0 0 21 18 1 0 0 0 0 20 19 1 0 0 0 0 21 20 1 0 0 0 0 23 22 1 0 0 0 0 24 23 1 0 0 0 0 4 26 1 1 0 0 0 M CHG 1 1 1 M END > CHEBI:444 > (S)-cis-N-methylstylopine > 3 > (S)-cis-N-methylstylopine; (S)-cis-N-methylstylopine > (5S,12bS)-5-methyl-6,7,12b,13-tetrahydro-4H-[1,3]dioxolo[4,5-g][1,3]dioxolo[7,8]isoquino[3,2-a]isoquinolin-5-ium > C20H20NO4 > 338.37714 > 338.13868 > 1 > [H][C@@]12Cc3ccc4OCOc4c3C[N@+]1(C)CCc1cc3OCOc3cc21 > InChI=1S/C20H20NO4/c1-21-5-4-13-7-18-19(24-10-23-18)8-14(13)16(21)6-12-2-3-17-20(15(12)9-21)25-11-22-17/h2-3,7-8,16H,4-6,9-11H2,1H3/q+1/t16-,21-/m0/s1 > GBUUKFRQPCPYPW-KKSFZXQISA-N > 4723082 > C06163 $$$$