KEGG   COMPOUND: C06161Help
Entry
C06161                      Compound                               

Name
(S)-Coclaurine;
Coclaurine;
(S)-1,2,3,4-Tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxy-7-isoquinolinol;
1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1,2,3,4-tetrahydroisoquinoline
Formula
C17H19NO3
Exact mass
285.1365
Mol weight
285.3377
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Isoquinoline alkaloid biosynthesis
Biosynthesis of alkaloids derived from shikimate pathway
Metabolic pathways
Biosynthesis of secondary metabolites
Enzyme
1.14.21.3       2.1.1.115       2.1.1.128       2.1.1.140
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tyrosine
   Isoquinoline alkaloids
    C06161  (S)-Coclaurine
BRITE hierarchy
Other DBs
CAS: 
486-39-5
PubChem: 
ChEBI: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        21
            1   C8y C    25.8543  -22.0022
            2   C1y C    27.0719  -21.3032
            3   C8y C    25.8486  -23.4063
            4   C8x C    24.6426  -21.2973
            5   C1b C    27.0778  -19.9050
            6   N1x N    28.2838  -22.0138
            7   C8x C    24.6426  -24.0995
            8   C1x C    27.0603  -24.1054
            9   C8y C    23.4309  -22.0022
            10  C8y C    28.2955  -19.2116
            11  C1x C    28.2779  -23.4121
            12  C8y C    23.4309  -23.4063
            13  O1a O    22.2190  -21.2973
            14  C8x C    28.2955  -17.8133
            15  C8x C    29.5131  -19.9107
            16  O2a O    22.2190  -24.0995
            17  C8x C    29.5131  -17.1085
            18  C8x C    30.7248  -19.2116
            19  C1a C    21.0130  -23.4063
            20  C8y C    30.7248  -17.8133
            21  O1a O    31.9308  -17.1085
BOND        23
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1 #Down
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     5  10 1
            10    6  11 1
            11    7  12 2
            12    9  13 1
            13   10  14 1
            14   10  15 2
            15   12  16 1
            16   14  17 2
            17   15  18 1
            18   16  19 1
            19   17  20 1
            20   20  21 1
            21    8  11 1
            22    9  12 1
            23   18  20 2

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