COMPOUND: C06330
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Entry
C06330 Compound
Name
Quinoline-3,4-diol;
3,4-Dihydroxyquinoline
Formula
C9H7NO2
Exact mass
161.0477
Mol weight
161.1574
Structure
Mol file
KCF file
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Reaction
R04915
R05154
Enzyme
1.13.11.47
1.14.13.62
Other DBs
PubChem:
8566
ChEBI:
28788
3DMET:
B00937
NIKKAJI:
J2.761.003J
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KCF data
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ATOM 12
1 C8y C 27.5223 -18.9694
2 C8y C 27.5282 -17.5660
3 C8y C 28.7338 -19.6683
4 C8x C 26.3168 -19.6624
5 N5x N 28.7454 -16.8671
6 C8x C 26.3168 -16.8612
7 C8y C 29.9509 -18.9811
8 O1a O 28.7278 -21.0660
9 C8x C 25.0996 -18.9694
10 C8x C 29.9567 -17.5776
11 C8x C 25.0996 -17.5660
12 O1a O 31.1506 -19.6800
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 2
7 3 8 1
8 4 9 2
9 5 10 2
10 6 11 2
11 7 12 1
12 7 10 1
13 9 11 1
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