KEGG   COMPOUND: C12078
Entry
C12078                      Compound                               

Name
Dehydroabietic acid;
(-)-Dehydroabietic acid;
13-Isopropylpodocarpa-8,11,13-trien-15-oic acid;
Abieta-8,11,13-trien-18-oic acid;
Dehydroabietate
Formula
C20H28O2
Exact mass
300.2089
Mol weight
300.4351
Structure
Brite
Lipids [BR:br08002]
 PR  Prenol lipids
  PR01 Isoprenoids
   PR0104 C20 isoprenoids (diterpenes)
    PR010405 Abietane diterpenoids
     C12078  Dehydroabietic acid
Phytochemical compounds [BR:br08003]
 Terpenoids
  Diterpenoids (C20)
   Podocarpanes
    C12078  Dehydroabietic acid
Other DBs
CAS: 1740-19-8
PubChem: 14229
ChEBI: 29571 58621
ChEMBL: CHEMBL12850
LIPIDMAPS: LMPR0104050005
KNApSAcK: C00042455
3DMET: B04415
NIKKAJI: J12.735C
KCF data

ATOM        22
            1   C1z C    22.6661  -17.6480
            2   C6a C    21.6005  -18.5699
            3   C1a C    23.0857  -19.1999
            4   C8y C    27.4811  -13.4509
            5   C8x C    25.1147  -13.4484
            6   C8x C    26.3523  -12.7511
            7   C8y C    25.1148  -14.8448
            8   C1x C    25.1027  -17.6694
            9   C1x C    26.3313  -16.9509
            10  C1c C    28.7507  -12.7450
            11  C1y C    23.8978  -16.9610
            12  C1z C    23.8474  -15.5512
            13  C1x C    22.7053  -14.8284
            14  C1x C    21.4036  -15.5154
            15  C1x C    21.4540  -16.9252
            16  C1a C    23.8978  -13.8717
            17  C8x C    27.5340  -14.8411
            18  C8y C    26.3313  -15.5303
            19  C1a C    28.7436  -11.3526
            20  C1a C    29.9533  -13.4344
            21  O6a O    20.2984  -18.1177
            22  O6a O    21.6005  -19.9699
BOND        24
            1     1   2 1 #Down
            2     1   3 1 #Up
            3    13  14 1
            4    14  15 1
            5    15   1 1
            6     1  11 1
            7    12   7 1
            8     7  18 1
            9     6   5 1
            10    4  10 1
            11   12  16 1 #Up
            12    4  17 1
            13    7   5 2
            14   17  18 2
            15   11   8 1
            16   10  19 1
            17    4   6 2
            18   10  20 1
            19    8   9 1
            20   18   9 1
            21   11  12 1
            22   12  13 1
            23    2  21 1
            24    2  22 2

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