COMPOUND: C22918
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Entry
C22918 Compound
Name
(9Z,11E)-12-[(1E)-Hex-1-en-1-yloxy]dodeca-9,11-dienoic acid;
Etheroleic acid
Formula
C18H30O3
Exact mass
294.2195
Mol weight
294.43
Structure
Mol file
KCF file
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Reaction
R13321
Pathway
map00591
Linoleic acid metabolism
map01100
Metabolic pathways
Enzyme
4.2.1.183
Other DBs
PubChem:
497620269
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KCF data
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ATOM 21
1 C2b C 15.3300 -14.0700
2 C1b C 14.0700 -14.7700
3 C1b C 12.8800 -14.0700
4 C1b C 11.6900 -14.7700
5 C1b C 10.4300 -14.0700
6 C1b C 9.2400 -14.7700
7 C1b C 8.0500 -14.0700
8 C1b C 6.7900 -14.7700
9 C6a C 5.6000 -14.0700
10 O6a O 4.4100 -14.7700
11 O6a O 5.6000 -12.6700
12 C2b C 16.7300 -14.0700
13 C2b C 17.9424 -14.7700
14 C2b C 19.1549 -14.0700
15 O2a O 20.3673 -14.7700
16 C2b C 21.5797 -14.0700
17 C2b C 22.7922 -14.7700
18 C1b C 24.0253 -14.0578
19 C1b C 25.2315 -14.7540
20 C1b C 26.4133 -14.0715
21 C1a C 27.6076 -14.7610
BOND 20
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 7 8 1
8 8 9 1
9 9 10 1
10 9 11 2
11 1 12 2
12 12 13 1
13 13 14 2
14 14 15 1
15 15 16 1
16 16 17 2
17 17 18 1
18 18 19 1
19 19 20 1
20 20 21 1
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