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 secondary metabolites - part 1
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
ChEMBL: CHEMBL498672
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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