COMPOUND: C02617
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Entry
C02617 Compound
Name
1,4-Naphthoquinone;
1,4-Naphthalenedione
Formula
C10H6O2
Exact mass
158.0368
Mol weight
158.1534
Structure
Mol file
KCF file
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Reaction
R07019
Pathway
map00980
Metabolism of xenobiotics by cytochrome P450
Other DBs
CAS:
130-15-4
PubChem:
5602
ChEBI:
27418
NIKKAJI:
J5.430E
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KCF data
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ATOM 12
1 C8y C 18.4163 -15.4642
2 C8y C 18.4163 -14.0695
3 C5x C 19.6389 -16.1709
4 C8x C 17.1998 -16.1774
5 C5x C 19.6261 -13.3563
6 C8x C 17.1998 -13.3753
7 C2x C 20.8298 -15.5214
8 O5x O 19.6389 -17.5529
9 C8x C 16.0028 -15.4642
10 C2x C 20.8551 -14.0568
11 O5x O 19.6198 -12.0381
12 C8x C 16.0028 -14.0695
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 2
8 4 9 2
9 5 10 1
10 5 11 2
11 6 12 2
12 7 10 2
13 9 12 1
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