COMPOUND: C20704
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Entry
C20704 Compound
Name
(8E,10S,12Z,15Z)-10-Hydroperoxyoctadeca-8,12,15-trienoate
Formula
C18H30O4
Exact mass
310.2144
Mol weight
310.43
Structure
Mol file
KCF file
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Reaction
R10578
Enzyme
1.13.11.77
Other DBs
PubChem:
254741173
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KCF data
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ATOM 22
1 O6a O 10.0100 -16.7300
2 C6a C 11.2000 -16.0300
3 C1b C 12.4600 -16.7300
4 C1b C 13.6500 -16.0300
5 C1b C 14.8400 -16.7300
6 C1b C 16.1000 -16.0300
7 C1b C 17.2900 -16.7300
8 C1b C 18.4800 -16.0300
9 C2b C 19.7400 -16.7300
10 C2b C 20.9300 -16.0300
11 C1c C 22.1200 -16.7300
12 C1b C 23.4500 -16.0300
13 O6a O 11.2000 -14.6300
14 O2a O 22.1200 -18.1300
15 O1a O 23.3800 -18.8300
16 C2b C 24.5700 -16.8000
17 C2b C 25.9700 -16.8000
18 C1b C 27.2300 -16.1000
19 C2b C 28.4200 -16.8000
20 C2b C 29.8200 -16.8000
21 C1b C 31.0324 -16.1000
22 C1a C 32.2279 -16.7904
BOND 21
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 2
10 10 11 1
11 11 12 1
12 2 13 2
13 11 14 1 #Down
14 14 15 1
15 12 16 1
16 16 17 2
17 17 18 1
18 18 19 1
19 19 20 2
20 20 21 1
21 21 22 1
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