COMPOUND: C04366
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Entry
C04366 Compound
Name
3-(2-Carboxyethenyl)-cis,cis-muconate
Formula
C9H8O6
Exact mass
212.0321
Mol weight
212.1562
Structure
Mol file
KCF file
DB search
Reaction
R03365
Pathway
map00940
Phenylpropanoid biosynthesis
Enzyme
1.13.11.22
Other DBs
PubChem:
7010
ChEBI:
16281
3DMET:
B00706
NIKKAJI:
J2.377.463A
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KCF data
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ATOM 15
1 C2c C 27.1672 -22.3711
2 C2b C 27.1672 -23.7707
3 C2b C 25.9601 -21.6777
4 C2b C 28.3743 -21.6714
5 C2b C 25.9538 -24.4643
6 C2b C 25.9409 -20.2459
7 C6a C 29.5812 -22.3711
8 C6a C 24.7466 -23.7707
9 O6a O 29.5812 -23.7707
10 O6a O 30.7883 -21.6714
11 O6a O 24.7529 -22.3711
12 O6a O 23.5395 -24.4706
13 C6a C 24.7284 -19.5459
14 O6a O 23.5160 -20.2459
15 O6a O 24.7284 -18.1459
BOND 14
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 2
5 3 6 2
6 4 7 1
7 5 8 1
8 7 9 1
9 7 10 2
10 8 11 1
11 8 12 2
12 6 13 1
13 13 14 1
14 13 15 2
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