KEGG   COMPOUND: C06087Help
Entry
C06087                      Compound                               

Name
Abietate;
Abietic acid
Formula
C20H30O2
Exact mass
302.2246
Mol weight
302.451
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Diterpenoid biosynthesis
Metabolic pathways
Biosynthesis of secondary metabolites
Enzyme
Brite
Lipids [BR:br08002]
 PR  Prenol Lipids
  PR01 Isoprenoids
   PR0104 C20 isoprenoids (diterpenes)
    PR010405 Abietane diterpenoids
     C06087  Abietic acid
Phytochemical compounds [BR:br08003]
 Terpenoids
  Diterpenoids (C20)
   Abietanes
    C06087  Abietate
Major components of natural products [BR:br08323]
 Crude drugs
  Rosin
   C06087  Abietate
BRITE hierarchy
Other DBs
CAS: 
514-10-3
PubChem: 
ChEBI: 
LIPIDMAPS: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        22
            1   C1y C    25.1196  -21.8846
            2   C1z C    25.1260  -20.4809
            3   C1z C    23.9091  -22.5864
            4   C1x C    26.3365  -22.5929
            5   C1y C    26.3494  -19.7792
            6   C1x C    23.9091  -19.7726
            7   C1a C    25.1131  -19.0710
            8   C1x C    22.6858  -21.8846
            9   C6a C    23.1469  -23.7728
            10  C1a C    24.6068  -24.0786
            11  C2x C    27.5534  -21.8976
            12  C2y C    27.5599  -20.4938
            13  C1x C    26.2922  -18.3627
            14  C1x C    22.6858  -20.4809
            15  O6a O    23.7982  -25.0095
            16  O6a O    21.7423  -23.7194
            17  C2x C    28.7897  -19.7921
            18  C1x C    27.5855  -17.6672
            19  C2y C    28.8025  -18.3820
            20  C1c C    30.0065  -17.6672
            21  C1a C    30.0000  -16.2702
            22  C1a C    31.2105  -18.3691
BOND        24
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     2   7 1 #Up
            7     3   8 1
            8     3   9 1 #Down
            9     3  10 1 #Up
            10    4  11 1
            11    5  12 1
            12    5  13 1
            13    6  14 1
            14    9  15 1
            15    9  16 2
            16   12  17 1
            17   13  18 1
            18   17  19 2
            19   19  20 1
            20   20  21 1
            21   20  22 1
            22    8  14 1
            23   11  12 2
            24   18  19 1

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