KEGG   COMPOUND: C20406
Entry
C20406                      Compound                               
Name
Cannabigerolate;
CBGA
Formula
C22H32O4
Exact mass
360.2301
Mol weight
360.4871
Structure
Reaction
Pathway
map00999  Biosynthesis of various plant secondary metabolites
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Module
M00894  Cannabidiol biosynthesis, malonyl-CoA => cannabidiol/dronabinol
Enzyme
1.21.3.7        1.21.3.8        2.5.1.102
Other DBs
CAS: 25555-57-1
PubChem: 163312143
KCF data

ATOM        26
            1   C8y C    21.6610  -17.5950
            2   C8y C    21.6610  -16.1984
            3   C8y C    20.4738  -15.5000
            4   C8y C    19.2168  -16.1984
            5   C8y C    19.2168  -17.5950
            6   C8x C    20.4738  -18.2934
            7   C1b C    22.8482  -18.2934
            8   C1b C    24.1052  -17.5950
            9   C1b C    25.2924  -18.2934
            10  C1b C    26.4796  -17.5950
            11  C1a C    27.7366  -18.2934
            12  O1a O    18.0296  -18.2934
            13  O1a O    20.4738  -14.1033
            14  C1b C    18.0296  -15.5000
            15  C2b C    16.7726  -16.1984
            16  C2c C    15.5854  -15.5000
            17  C1b C    14.3983  -16.1984
            18  C1b C    13.1413  -15.5000
            19  C2b C    11.9541  -16.1984
            20  C2c C    10.7669  -15.5000
            21  C1a C     9.5099  -16.1984
            22  C1a C    15.5854  -14.1033
            23  C1a C    10.7669  -14.1033
            24  C6a C    22.8645  -15.5096
            25  O6a O    24.1066  -16.2327
            26  O6a O    22.8700  -14.1401
BOND        26
            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     1   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12    5  12 1
            13    3  13 1
            14    4  14 1
            15   14  15 1
            16   15  16 2
            17   16  17 1
            18   17  18 1
            19   18  19 1
            20   19  20 2
            21   20  21 1
            22   16  22 1
            23   20  23 1
            24    2  24 1
            25   24  25 1
            26   24  26 2

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