KEGG   COMPOUND: C22152
Entry
C22152                      Compound                               
Name
Bergamottin
Formula
C21H22O4
Exact mass
338.1518
Mol weight
338.40
Structure
Reaction
R12876 R12881 R12882
Pathway
map00999  Biosynthesis of various plant secondary metabolites
map01110  Biosynthesis of secondary metabolites
Enzyme
2.5.1.-
Brite
Secondary metabolites in pathway maps [br08011.html]
 Biosynthetic pathways and modules of secondary metabolites
  C22152
Other DBs
CAS: 7380-40-7
PubChem: 405226343
PDB-CCD: HJJ[PDBj]
LinkDB
KCF data

ATOM        25
            1   C8y C    14.5600  -13.0200
            2   C8y C    14.5600  -14.4200
            3   C8x C    15.7500  -15.1200
            4   C8y C    17.0100  -14.4200
            5   C8y C    17.0100  -13.0200
            6   C8y C    15.7500  -12.3200
            7   O7x O    18.2000  -15.1200
            8   C8y C    19.3900  -14.4200
            9   C8x C    19.3900  -13.0200
            10  C8x C    18.2000  -12.3200
            11  C8x C    13.2300  -12.6000
            12  C8x C    12.3900  -13.7200
            13  O2x O    13.2300  -14.8400
            14  O6a O    20.5800  -15.1200
            15  O2a O    15.7500  -10.9200
            16  C1b C    16.9400  -10.2200
            17  C2b C    18.1300  -10.9200
            18  C2c C    19.3200  -10.2200
            19  C1b C    20.5100  -10.9200
            20  C1b C    21.7000  -10.2200
            21  C2b C    22.8900  -10.9200
            22  C1a C    19.3200   -8.8200
            23  C2c C    24.0800  -10.2200
            24  C1a C    25.2700  -10.9200
            25  C1a C    24.0800   -8.8200
BOND        27
            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 1
            9     8   9 1
            10    9  10 2
            11    5  10 1
            12    1  11 1
            13   11  12 2
            14   12  13 1
            15    2  13 1
            16    8  14 2
            17    6  15 1
            18   15  16 1
            19   16  17 1
            20   17  18 2
            21   18  19 1
            22   19  20 1
            23   20  21 1
            24   18  22 1
            25   21  23 2
            26   23  24 1
            27   23  25 1

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