COMPOUND: C14111
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Entry
C14111 Compound
Name
5,6,7,8-Tetrahydro-2-naphthoic acid
Formula
C11H12O2
Exact mass
176.0837
Mol weight
176.21
Structure
Mol file
KCF file
DB search
Reaction
R06898
R06899
R06900
R06901
Pathway
map00626
Naphthalene degradation
map01120
Microbial metabolism in diverse environments
Other DBs
CAS:
1131-63-1
PubChem:
854347
ChEBI:
34447
PDB-CCD:
NY5
[
PDBj
]
NIKKAJI:
J203.377A
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KCF data
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ATOM 13
1 C8y C 26.2500 -18.6200
2 C8x C 26.2500 -20.0200
3 C8x C 25.0600 -20.7200
4 C8x C 25.0600 -17.9200
5 C8y C 23.8700 -18.6200
6 C8y C 23.8700 -20.0200
7 C1x C 22.6100 -20.7200
8 C1x C 21.4200 -20.0200
9 C1x C 21.4200 -18.6200
10 C1x C 22.6100 -17.9200
11 C6a C 27.5100 -17.9200
12 O6a O 28.7000 -18.6200
13 O6a O 27.5100 -16.5200
BOND 14
1 3 6 2
2 5 4 2
3 4 1 1
4 5 6 1
5 6 7 1
6 7 8 1
7 8 9 1
8 9 10 1
9 10 5 1
10 1 11 1
11 1 2 2
12 11 12 1
13 2 3 1
14 11 13 2
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