KEGG   COMPOUND: C06160Help
Entry
C06160                      Compound                               

Name
(S)-Norcoclaurine;
6,7-Dihydroxy-(1S)-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
Formula
C16H17NO3
Exact mass
271.1208
Mol weight
271.3111
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Isoquinoline alkaloid biosynthesis
Biosynthesis of alkaloids derived from shikimate pathway
Metabolic pathways
Biosynthesis of secondary metabolites
Enzyme
2.1.1.128       4.2.1.78
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tyrosine
   Isoquinoline alkaloids
    C06160  (S)-Norcoclaurine
BRITE hierarchy
Other DBs
CAS: 
22672-77-1
PubChem: 
ChEBI: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        20
            1   C8y C    24.8082  -20.6392
            2   C1y C    26.0226  -19.9385
            3   C8y C    24.8023  -22.0462
            4   C8x C    23.5937  -19.9328
            5   C1b C    26.0285  -18.5432
            6   N1x N    27.2371  -20.6508
            7   C8x C    23.5937  -22.7411
            8   C1x C    26.0109  -22.7468
            9   C8y C    22.3735  -20.6392
            10  C8y C    27.2428  -17.8483
            11  C1x C    27.2312  -22.0579
            12  C8y C    22.3735  -22.0462
            13  O1a O    21.1649  -19.9445
            14  C8x C    28.4457  -18.5549
            15  C8x C    27.2428  -16.4530
            16  O1a O    21.1649  -22.7468
            17  C8x C    29.6600  -17.8600
            18  C8x C    28.4572  -15.7640
            19  C8y C    29.6658  -16.4647
            20  O1a O    30.8743  -15.7700
BOND        22
            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 2
            14   10  15 1
            15   12  16 1
            16   14  17 1
            17   15  18 2
            18   17  19 2
            19   19  20 1
            20    8  11 1
            21    9  12 1
            22   18  19 1

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