KEGG   COMPOUND: C23139
Entry
C23139                      Compound                               
Name
3,7-Didehydrojasmonate;
2-(3-Oxo-2-pent-2-enylcyclopenten-1-yl)acetic acid
Formula
C12H16O3
Exact mass
208.1099
Mol weight
208.25
Structure
Reaction
R13647 R13648
Pathway
map00592  alpha-Linolenic acid metabolism
LinkDB
KCF data

ATOM        15
            1   C2y C    16.5267  -15.8583
            2   C2y C    16.5208  -17.2465
            3   C5x C    15.2085  -15.4383
            4   C1b C    17.9324  -14.6159
            5   C1x C    15.2259  -17.6723
            6   C1b C    17.7165  -17.9289
            7   C1x C    14.4035  -16.5640
            8   O5x O    14.7594  -14.0910
            9   C2b C    19.1223  -15.3158
            10  C6a C    18.9065  -17.2465
            11  C2b C    20.4872  -15.3158
            12  O6a O    20.0963  -17.9289
            13  C1b C    21.6713  -14.6159
            14  C1a C    22.8494  -15.2984
            15  O6a O    18.8996  -16.0442
BOND        15
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 1
            9     6  10 1
            10    9  11 2
            11   10  12 1
            12   11  13 1
            13   13  14 1
            14    5   7 1
            15   10  15 2

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