COMPOUND: C01173
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Entry
C01173 Compound
Name
1,3,8-Naphthalenertriol;
1,3,8-Trihydroxynaphthalene
Formula
C10H8O3
Exact mass
176.0473
Mol weight
176.1687
Structure
Mol file
KCF file
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Reaction
R02907
R03322
Enzyme
1.1.1.252
4.2.1.94
Other DBs
PubChem:
4400
ChEBI:
18393
3DMET:
B00253
NIKKAJI:
J634.181K
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KCF data
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ATOM 13
1 C8y C 21.5596 -16.2013
2 C8y C 21.5596 -17.6034
3 C8y C 22.7769 -15.4874
4 C8y C 20.3424 -15.5129
5 C8x C 22.7831 -18.3107
6 C8x C 20.3424 -18.3107
7 C8x C 24.0006 -16.1949
8 O1a O 22.7704 -14.1745
9 C8x C 19.1442 -16.2013
10 O1a O 20.3424 -14.1236
11 C8y C 23.9813 -17.6479
12 C8x C 19.1442 -17.6034
13 O1a O 25.1668 -18.3617
BOND 14
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 2
7 3 8 1
8 4 9 2
9 4 10 1
10 5 11 2
11 6 12 2
12 11 13 1
13 7 11 1
14 9 12 1
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