KEGG   COMPOUND: C05243Help
Entry
C05243                      Compound                               

Name
(R)-N-Methylcoclaurine;
(R)-1,2,3,4-Tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-7-isoquinolinol
Formula
C18H21NO3
Exact mass
299.1521
Mol weight
299.3642
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Isoquinoline alkaloid biosynthesis
Enzyme
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tyrosine
   Isoquinoline alkaloids
    C05243  (R)-N-Methylcoclaurine
BRITE hierarchy
Other DBs
CAS: 
5096-70-8
PubChem: 
ChEBI: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        22
            1   C8y C    25.8720  -21.9905
            2   C1y C    27.0839  -21.2915
            3   C8y C    25.8663  -23.3887
            4   C8x C    24.6603  -21.2856
            5   C1b C    27.0896  -19.8934
            6   N1y N    28.2898  -22.0021
            7   C8x C    24.6603  -24.0877
            8   C1x C    27.0722  -24.0937
            9   C8y C    23.4428  -21.9905
            10  C8y C    28.2955  -19.1943
            11  C1x C    28.2839  -23.4003
            12  C1a C    29.5074  -21.3032
            13  C8y C    23.4428  -23.3887
            14  O1a O    22.2311  -21.2856
            15  C8x C    28.3131  -17.7961
            16  C8x C    29.5015  -19.9108
            17  O2a O    22.2311  -24.0877
            18  C8x C    29.5305  -17.1086
            19  C8x C    30.7248  -19.2233
            20  C1a C    21.0135  -23.3946
            21  C8y C    30.7364  -17.8194
            22  O1a O    31.9599  -17.1320
BOND        24
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1 #Up
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    6  11 1
            11    6  12 1
            12    7  13 1
            13    9  14 1
            14   10  15 2
            15   10  16 1
            16   13  17 1
            17   15  18 1
            18   16  19 2
            19   17  20 1
            20   18  21 2
            21   21  22 1
            22    8  11 1
            23    9  13 2
            24   19  21 1

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