COMPOUND: C18318
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Entry
C18318 Compound
Name
cis,cis-2,4-Dihydroxy-5-methyl-6-oxo-2,4-hexadienoate
Formula
C7H8O5
Exact mass
172.0372
Mol weight
172.1354
Structure
Mol file
KCF file
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Reaction
R09237
R09238
Pathway
map00633
Nitrotoluene degradation
map01120
Microbial metabolism in diverse environments
Enzyme
1.13.11.- 3.7.1.-
Other DBs
PubChem:
103061500
ChEBI:
81669
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KCF data
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ATOM 12
1 O1a O 24.3600 -18.5500
2 C2c C 24.3600 -19.9500
3 C2b C 25.5500 -20.6500
4 C2c C 26.8100 -19.9500
5 C6a C 26.8100 -18.5500
6 O6a O 25.5500 -17.8500
7 C2c C 23.1700 -20.6500
8 C1a C 21.9800 -19.9500
9 C4a C 23.1700 -22.0500
10 O4a O 21.9800 -22.7500
11 O6a O 28.0000 -17.8500
12 O1a O 28.0000 -20.6500
BOND 11
1 1 2 1
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 2 7 2
7 7 8 1
8 7 9 1
9 9 10 2
10 5 11 1
11 4 12 1
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