COMPOUND: C16215
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Entry
C16215 Compound
Name
1,2-Dihydrophthalic acid;
Cyclohexa-3,5-diene-1,2-dicarboxylate
Formula
C8H8O4
Exact mass
168.0423
Mol weight
168.1467
Structure
Mol file
KCF file
DB search
Reaction
R07690
R07703
Pathway
map00624
Polycyclic aromatic hydrocarbon degradation
map01120
Microbial metabolism in diverse environments
Enzyme
1.3.1.19
Other DBs
CAS:
22919-28-4
PubChem:
47205523
ChEBI:
80385
NIKKAJI:
J83.236G
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KCF data
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ATOM 12
1 C2x C 24.6400 -20.1600
2 C2x C 24.6400 -21.5600
3 C2x C 25.8300 -22.2600
4 C1y C 27.0900 -21.5600
5 C1y C 27.0900 -20.1600
6 C2x C 25.8300 -19.4600
7 C6a C 28.2800 -19.4600
8 C6a C 28.2800 -22.2600
9 O6a O 29.4700 -21.5600
10 O6a O 29.4700 -20.1600
11 O6a O 28.2800 -18.0600
12 O6a O 28.2800 -23.6600
BOND 12
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 2
7 5 7 1
8 4 8 1
9 8 9 1
10 7 10 1
11 7 11 2
12 8 12 2
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