COMPOUND: C04314
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Entry
C04314 Compound
Name
cis-1,2-Dihydronaphthalene-1,2-diol;
(1R,2S)-1,2-Dihydronaphthalene-1,2-diol
Formula
C10H10O2
Exact mass
162.0681
Mol weight
162.1852
Structure
Mol file
KCF file
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Reaction
R02968
R04115
Pathway
map00626
Naphthalene degradation
map01100
Metabolic pathways
map01120
Microbial metabolism in diverse environments
map01220
Degradation of aromatic compounds
Module
M00534
Naphthalene degradation, naphthalene => salicylate
Enzyme
1.3.1.29
1.14.12.12
Other DBs
PubChem:
6972
ChEBI:
15561
44343
PDB-CCD:
NDH
[
PDBj
]
NIKKAJI:
J89.614D
LinkDB
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KCF data
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ATOM 12
1 C8y C 17.3724 -17.2196
2 C8y C 17.3724 -18.6209
3 C1y C 18.5825 -16.5063
4 C8x C 16.1560 -16.5255
5 C2x C 18.5952 -19.3215
6 C8x C 16.1560 -19.3277
7 C1y C 19.8116 -17.2134
8 O1a O 18.5760 -15.1245
9 C8x C 14.9586 -17.2196
10 C2x C 19.8181 -18.6272
11 C8x C 14.9586 -18.6209
12 O1a O 21.0026 -16.5128
BOND 13
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 1 #Up
8 4 9 2
9 5 10 2
10 6 11 2
11 7 12 1 #Up
12 7 10 1
13 9 11 1
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