KEGG   COMPOUND: C16320Help
Entry
C16320                      Compound                               

Name
Colnelenic acid;
(8E)-9-[(1E,3Z,6Z)-Nona-1,3,6-trien-1-yloxy]non-8-enoate
Formula
C18H28O3
Exact mass
292.2038
Mol weight
292.4131
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00592  alpha-Linolenic acid metabolism
map01110  Biosynthesis of secondary metabolites
Enzyme
Other DBs
CAS: 52591-16-9
PubChem: 47205628
ChEBI: 60959
KNApSAcK: C00000448
NIKKAJI: J825.434F
KCF data Show

ATOM        21
            1   O2a O    25.2700  -22.6100
            2   C2b C    25.9700  -23.8000
            3   C2b C    27.3700  -23.8000
            4   C2b C    25.9700  -21.4200
            5   C2b C    27.3700  -21.4200
            6   C1b C    28.5600  -20.7200
            7   C2b C    28.6300  -24.5000
            8   C2b C    30.0300  -24.5000
            9   C1b C    31.2200  -23.8000
            10  C1b C    29.7500  -21.4200
            11  C1b C    30.9400  -20.7200
            12  C1b C    32.2000  -21.4200
            13  C1b C    33.3900  -20.7200
            14  C1b C    34.5800  -21.4200
            15  C6a C    35.8400  -20.7200
            16  O6a O    37.0300  -21.4200
            17  O6a O    35.8400  -19.3200
            18  C2b C    32.4800  -24.5000
            19  C2b C    33.8800  -24.5000
            20  C1b C    35.0700  -23.8000
            21  C1a C    36.3300  -24.5000
BOND        20
            1     1   2 1
            2     2   3 2
            3     1   4 1
            4     4   5 2
            5     5   6 1
            6     3   7 1
            7     7   8 2
            8     8   9 1
            9     6  10 1
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15   15  16 1
            16   15  17 2
            17    9  18 1
            18   18  19 2
            19   19  20 1
            20   20  21 1

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