COMPOUND: C01249
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Entry
C01249 Compound
Name
7,8-Dihydro-7,8-dihydroxykynurenate
Formula
C10H9NO5
Exact mass
223.0481
Mol weight
223.1822
Structure
Mol file
KCF file
DB search
Reaction
R03251
R03439
R03440
R03441
Pathway
map00380
Tryptophan metabolism
Enzyme
1.3.1.18
1.14.99.2
Other DBs
PubChem:
4469
ChEBI:
17109
3DMET:
B04787
NIKKAJI:
J2.732.000G
LinkDB
All DBs
KCF data
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ATOM 16
1 C8y C 24.5000 -16.8700
2 C8y C 24.5000 -18.3400
3 N5x N 25.7600 -16.1700
4 C1y C 23.2400 -16.1700
5 C8y C 25.7600 -19.1100
6 C2x C 23.2400 -19.1100
7 C8y C 27.0900 -16.9400
8 C1y C 21.9800 -16.8700
9 O1a O 23.2400 -14.7000
10 C8x C 27.0900 -18.3400
11 O1a O 25.7600 -20.3000
12 C2x C 21.9800 -18.3400
13 C6a C 27.8600 -16.4500
14 O1a O 20.7900 -16.2400
15 O6a O 27.8600 -14.9800
16 O6a O 28.9100 -17.0100
BOND 17
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 4 8 1
8 4 9 1
9 5 10 2
10 5 11 1
11 6 12 2
12 7 13 1
13 8 14 1
14 13 15 2
15 13 16 1
16 7 10 1
17 8 12 1
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