KEGG   COMPOUND: C12077Help
Entry
C12077                      Compound                               

Name
Palustric acid;
NSC 148945;
8,13-Abietadien-18-oic acid
Formula
C20H30O2
Exact mass
302.2246
Mol weight
302.451
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00904  Diterpenoid biosynthesis
map01110  Biosynthesis of secondary metabolites
Other DBs
CAS: 1945-53-5
PubChem: 14228
ChEBI: 29660
LIPIDMAPS: LMPR0104050012
NIKKAJI: J12.734E
KCF data Show

ATOM        22
            1   C1z C    23.8653  -22.3695
            2   C6a C    23.2328  -23.6842
            3   C1a C    24.7565  -24.0271
            4   O6a O    23.9823  -25.0634
            5   O6a O    21.9056  -24.1066
            6   C2y C    28.6527  -18.2575
            7   C1x C    26.2643  -18.2550
            8   C1x C    27.4768  -17.5719
            9   C2y C    26.2644  -19.6231
            10  C1x C    26.2525  -22.3905
            11  C1x C    27.4562  -21.6865
            12  C1c C    29.8266  -17.5659
            13  C1y C    25.0721  -21.6964
            14  C1z C    25.0927  -20.3152
            15  C1x C    23.9037  -19.6070
            16  C1x C    22.6984  -20.2801
            17  C1x C    22.6778  -21.6613
            18  C1a C    25.0721  -18.9441
            19  C2x C    28.6345  -19.6195
            20  C2y C    27.4562  -20.2947
            21  C1a C    29.8196  -16.2017
            22  C1a C    31.0048  -18.2413
BOND        24
            1     2   5 2
            2     1   2 1 #Down
            3     1   3 1 #Up
            4     2   4 1
            5    15  16 1
            6    16  17 1
            7    17   1 1
            8     1  13 1
            9    14   9 1
            10    9  20 2
            11    8   7 1
            12    6  12 1
            13   14  18 1 #Up
            14    6  19 2
            15    9   7 1
            16   19  20 1
            17   13  10 1
            18   12  21 1
            19    6   8 1
            20   12  22 1
            21   10  11 1
            22   20  11 1
            23   13  14 1
            24   14  15 1

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