KEGG   COMPOUND: C09118
Entry
C09118                      Compound                               

Name
Isopimaric acid
Formula
C20H30O2
Exact mass
302.2246
Mol weight
302.451
Structure
Reaction
Pathway
map00904  Diterpenoid biosynthesis
map01110  Biosynthesis of secondary metabolites
Brite
Lipids [BR:br08002]
 PR  Prenol lipids
  PR01 Isoprenoids
   PR0104 C20 isoprenoids (diterpenes)
    PR010408 Pimarane diterpenoids
     C09118  Isopimaric acid
Phytochemical compounds [BR:br08003]
 Terpenoids
  Diterpenoids (C20)
   Pimaranes
    C09118  Isopimaric acid
Other DBs
CAS: 5835-26-7
PubChem: 11310
ChEBI: 6039
ChEMBL: CHEMBL512164
LIPIDMAPS: LMPR0104080010
KNApSAcK: C00003444
3DMET: B02695
NIKKAJI: J8.075F
KCF data

ATOM        22
            1   C1y C    24.9175  -21.3384
            2   C1z C    24.9233  -19.9311
            3   C1z C    23.7088  -22.0448
            4   C1x C    26.1202  -22.0508
            5   C1y C    26.1378  -19.2421
            6   C1x C    23.7088  -19.2364
            7   C1a C    24.9116  -18.5299
            8   C1x C    22.4885  -21.3442
            9   C2x C    27.3406  -21.3558
            10  C2y C    27.3406  -19.9545
            11  C1x C    26.1436  -17.8409
            12  C1x C    22.4885  -19.9311
            13  C1x C    28.5609  -19.2597
            14  C1x C    27.3640  -17.1460
            15  C1z C    28.5726  -17.8584
            16  C1a C    28.5669  -16.1770
            17  C1a C    24.4839  -23.5975
            18  C6a C    23.0573  -23.4575
            19  O6a O    23.4171  -24.8050
            20  O6a O    21.6604  -23.4510
            21  C2b C    29.7787  -17.1504
            22  C2a C    30.9935  -17.8403
BOND        24
            1     2   6 1
            2     2   7 1 #Up
            3     3   8 1
            4     4   9 1
            5     5  10 1
            6     5  11 1
            7     6  12 1
            8    10  13 1
            9    11  14 1
            10   13  15 1
            11   15  16 1 #Up
            12    8  12 1
            13    9  10 2
            14   14  15 1
            15    3  17 1 #Up
            16    1   2 1
            17    3  18 1 #Down
            18    1   3 1
            19   18  19 1
            20    1   4 1
            21   18  20 2
            22   15  21 1 #Down
            23    2   5 1
            24   21  22 2

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