COMPOUND: C21940
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Entry
C21940 Compound
Name
(7Z,10Z,13Z)-Docosatrienoic acid;
7Z,10Z,13Z-Docosatrienoic acid
Formula
C22H38O2
Exact mass
334.2872
Mol weight
334.54
Structure
Mol file
KCF file
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PubChem:
376218973
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KCF data
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ATOM 24
1 O6a O 1.7500 -20.5800
2 C6a C 2.8700 -19.8800
3 O6a O 2.8700 -18.5500
4 C1b C 4.0600 -20.5800
5 C1b C 5.2500 -19.8800
6 C1b C 6.5100 -20.5800
7 C1b C 7.7000 -19.8800
8 C1b C 8.8900 -20.5800
9 C2b C 10.0800 -19.8800
10 C2b C 11.4800 -19.8800
11 C1b C 12.6700 -20.5800
12 C2b C 13.9300 -19.8800
13 C2b C 15.3300 -19.8800
14 C1b C 16.5200 -20.5800
15 C2b C 17.7100 -19.8800
16 C2b C 19.0400 -19.8800
17 C1b C 20.3000 -20.5800
18 C1b C 21.4900 -19.8800
19 C1b C 22.6800 -20.5800
20 C1b C 23.9400 -19.8800
21 C1b C 25.1300 -20.5800
22 C1b C 26.3200 -19.8800
23 C1b C 27.5800 -20.5800
24 C1a C 28.7700 -19.8800
BOND 23
1 1 2 1
2 2 3 2
3 2 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 12 13 2
13 13 14 1
14 14 15 1
15 15 16 2
16 16 17 1
17 17 18 1
18 18 19 1
19 19 20 1
20 20 21 1
21 21 22 1
22 22 23 1
23 23 24 1
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