Ketcher 11111913192D 1   1.00000     0.00000     0

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  5  1  1  0     0  0
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M  END
> <ID>
CHEBI:145336

> <NAME>
(S)-codamine

> <DEFINITION>
A benzylisoquinoline alkaloid that is 1,2,3,4-tetrahydroisoquinolin-7-ol which is substituted by 3,4-dimethoxybenzyl, methyl, and methoxy groups at positions 1, 2, and 6, respectively (the 1S enantiomer).

> <STAR>
3

> <SYNONYM>
L-(+)-codamine; codamine; 7-desmethyllaudanosine; (S)-1-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6-methoxy-2-methylisoquinolin-7-ol; (S)-(+)-codamine; (+)-codamine

> <IUPAC_NAME>
(1S)-1-(3,4-dimethoxybenzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol

> <FORMULA>
C20H25NO4

> <MASS>
343.423

> <MONOISOTOPIC_MASS>
343.17836

> <CHARGE>
0

> <SMILES>
N1([C@H](C2=C(CC1)C=C(C(=C2)O)OC)CC3=CC=C(C(=C3)OC)OC)C

> <INCHI>
InChI=1S/C20H25NO4/c1-21-8-7-14-11-19(24-3)17(22)12-15(14)16(21)9-13-5-6-18(23-2)20(10-13)25-4/h5-6,10-12,16,22H,7-9H2,1-4H3/t16-/m0/s1

> <INCHIKEY>
OKORHWXYDBSYNO-INIZCTEOSA-N

> <CAS_REGISTRY_NUMBER>
21040-59-5

> <CHEMIDPLUS>
21040-59-5

> <KNAPSACK_ACCESSION>
C00025654

> <METACYC_ACCESSION>
CPD-22271

> <PUBMED_CITATION>
10395492; 15272474; 16566764; 17845001; 18374345; 22535422; 2877830; 5883234

$$$$