KEGG   COMPOUND: C05202Help
Entry
C05202                      Compound                               

Name
3'-Hydroxy-N-methyl-(S)-coclaurine;
(S)-3'-Hydroxy-N-methylcoclaurine
Formula
C18H21NO4
Exact mass
315.1471
Mol weight
315.3636
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Isoquinoline alkaloid biosynthesis
Biosynthesis of alkaloids derived from shikimate pathway
Metabolic pathways
Biosynthesis of secondary metabolites
Enzyme
1.14.13.71      1.14.18.1       2.1.1.115       2.1.1.116
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tyrosine
   Isoquinoline alkaloids
    C05202  3'-Hydroxy-N-methyl-(S)-coclaurine
BRITE hierarchy
Other DBs
PubChem: 
ChEBI: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        23
            1   C8y C    27.0948  -22.6553
            2   C1y C    28.3008  -21.9562
            3   C8y C    27.0890  -24.0536
            4   C8x C    25.8830  -21.9503
            5   C1b C    28.3065  -20.5520
            6   N1y N    29.5125  -22.6611
            7   C8x C    25.8830  -24.7528
            8   C1x C    28.2891  -24.7585
            9   C8y C    24.6654  -22.6553
            10  C8y C    27.1064  -19.8530
            11  C1x C    29.5068  -24.0653
            12  C1a C    30.7302  -21.9619
            13  C8y C    24.6654  -24.0536
            14  O1a O    23.4534  -21.9503
            15  C8x C    27.1005  -18.4488
            16  C8x C    25.9004  -20.5520
            17  O2a O    23.4534  -24.7528
            18  C8y C    25.8830  -17.7497
            19  C8x C    24.6828  -19.8645
            20  C1a C    22.2358  -24.0536
            21  C8y C    24.6770  -18.4605
            22  O1a O    25.8771  -16.3573
            23  O1a O    23.4594  -17.7614
BOND        25
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1 #Down
            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 1
            15   10  16 2
            16   13  17 1
            17   15  18 2
            18   16  19 1
            19   17  20 1
            20   18  21 1
            21   18  22 1
            22   21  23 1
            23    8  11 1
            24    9  13 2
            25   19  21 2

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