COMPOUND: C20388
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Entry
C20388 Compound
Name
12(S)-HHT;
(12S,5Z,8E,10E)-12-Hydroxy-5,8,10-heptadecatrienoic acid
Formula
C17H28O3
Exact mass
280.2038
Mol weight
280.4024
Structure
Mol file
KCF file
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CAS:
54397-84-1
PubChem:
163312126
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KCF data
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ATOM 20
1 C2b C 9.8000 -14.5600
2 C1b C 9.8000 -15.9600
3 C2b C 11.0124 -16.6600
4 C2b C 12.2249 -15.9600
5 C1b C 12.2249 -14.5600
6 C2b C 11.0124 -13.8600
7 C1b C 13.4624 -13.8600
8 C1b C 14.6749 -14.5600
9 C6a C 15.8873 -13.8600
10 O6a O 17.0997 -14.5600
11 C2b C 13.4624 -16.6600
12 C2b C 14.6749 -15.9600
13 C1c C 15.8873 -16.6600
14 C1b C 17.0997 -15.9600
15 C1b C 18.3122 -16.6600
16 C1b C 19.5246 -15.9600
17 C1b C 20.7370 -16.6600
18 C1a C 21.9495 -15.9600
19 O6a O 15.8873 -12.4600
20 O1a O 15.8873 -18.0600
BOND 19
1 1 2 1
2 2 3 1
3 3 4 2
4 5 6 1
5 1 6 2
6 5 7 1
7 7 8 1
8 8 9 1
9 9 10 1
10 4 11 1
11 11 12 2
12 12 13 1
13 13 14 1
14 14 15 1
15 15 16 1
16 16 17 1
17 17 18 1
18 9 19 2
19 13 20 1 #Down
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