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 secondary metabolites - part 1
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
ChEMBL: CHEMBL463843
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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