KEGG   COMPOUND: C10784
Entry
C10784                      Compound                               
Name
Cannabidiolic acid;
Cannabidiolate
Formula
C22H30O4
Exact mass
358.2144
Mol weight
358.4712
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
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK13 Aromatic polyketides
   PK1312 Other aromatic polyketides
    C10784  Cannabidiolic acid
Other DBs
CAS: 1244-58-2
PubChem: 12967
ChEBI: 3359
LIPIDMAPS: LMPK13120003
KNApSAcK: C00002642
3DMET: B04121
NIKKAJI: J14.354E
KCF data

ATOM        26
            1   C1y C    21.2418  -17.5447
            2   C8y C    22.4551  -18.2390
            3   C1y C    20.0342  -18.2448
            4   C2x C    21.2418  -16.1448
            5   C8y C    22.4551  -19.6391
            6   C8y C    23.6686  -17.5390
            7   C1x C    18.8208  -17.5447
            8   C2c C    20.0401  -19.6449
            9   C2y C    20.0342  -15.4388
            10  C8x C    23.6744  -20.3450
            11  O1a O    22.4493  -21.0333
            12  C8y C    24.8879  -18.2331
            13  O1a O    23.6686  -16.1331
            14  C1x C    18.8208  -16.1448
            15  C1a C    21.1775  -20.4209
            16  C2a C    18.8208  -20.3566
            17  C1a C    20.0401  -14.0387
            18  C8y C    24.8879  -19.6391
            19  C1b C    26.1012  -20.3333
            20  C1b C    27.3147  -19.6275
            21  C1b C    28.5222  -20.3216
            22  C1b C    29.7297  -19.6216
            23  C1a C    30.9433  -20.3159
            24  C6a C    26.0945  -17.5317
            25  O6a O    27.3053  -18.2258
            26  O6a O    26.0902  -16.1360
BOND        27
            1     1   4 1
            2     2   5 2
            3     2   6 1
            4     3   7 1
            5     3   8 1 #Down
            6     4   9 2
            7     5  10 1
            8     5  11 1
            9     6  12 2
            10    6  13 1
            11    7  14 1
            12    8  15 1
            13    8  16 2
            14    9  17 1
            15   10  18 2
            16   18  19 1
            17   19  20 1
            18   20  21 1
            19   21  22 1
            20   22  23 1
            21    9  14 1
            22   12  18 1
            23   12  24 1
            24    1   2 1
            25   24  25 2
            26    1   3 1
            27   24  26 1

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