KEGG   COMPOUND: C06162Help
Entry
C06162                      Compound                               

Name
Sanguinarine
Formula
C20H14NO4
Exact mass
332.0923
Mol weight
332.3295
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Isoquinoline alkaloid biosynthesis
Enzyme
1.3.1.107       1.5.3.12
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tyrosine
   Isoquinoline alkaloids
    C06162  Sanguinarine
Natural toxins [BR:br08009]
 Phytotoxins
  Alkaloids
   Isoquinoline alkaloids
    C06162  Sanguinarine
BRITE hierarchy
Other DBs
CAS: 
2447-54-3
PubChem: 
ChEBI: 
KNApSAcK: 
PDB-CCD: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        25
            1   C8x C    19.6000   -8.4000
            2   C8y C    19.6000   -9.8000
            3   C8y C    20.8124  -10.5000
            4   C8y C    22.0249   -9.8000
            5   C8y C    22.0249   -8.4000
            6   C8x C    20.8124   -7.7000
            7   C8x C    23.2373  -10.5000
            8   N5y N    24.4497   -9.8000 #+
            9   C8y C    24.4497   -8.4000
            10  C8y C    23.2373   -7.7000
            11  C8y C    25.6622   -7.7000
            12  C8y C    25.6622   -6.3000
            13  C8x C    24.4497   -5.6000
            14  C8x C    23.2373   -6.3000
            15  C8x C    26.8746   -8.4000
            16  C8y C    28.0870   -7.7000
            17  C8y C    28.0870   -6.3000
            18  C8x C    26.8746   -5.6000
            19  O2x O    18.5596  -10.7368
            20  C1x C    19.1290  -12.0158
            21  O2x O    20.5214  -11.8694
            22  O2x O    29.4185   -8.1326
            23  C1x C    30.2414   -7.0000
            24  O2x O    29.4185   -5.8674
            25  C1a C    25.6473  -10.4915
BOND        30
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11    5  10 1
            12    9  11 1
            13   11  12 2
            14   12  13 1
            15   13  14 2
            16   10  14 1
            17   11  15 1
            18   15  16 2
            19   16  17 1
            20   17  18 2
            21   12  18 1
            22    2  19 1
            23   19  20 1
            24   20  21 1
            25    3  21 1
            26   16  22 1
            27   22  23 1
            28   23  24 1
            29   17  24 1
            30    8  25 1

» Japanese version

DBGET integrated database retrieval system