COMPOUND: C18338
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Entry
C18338 Compound
Name
5-Carboxyvanillic acid;
5-Carboxyvanillate;
4-Hydroxy-5-methoxy-1,3-benzenedicarboxylate;
4-Hydroxy-5-methoxyisophthalate
Formula
C9H8O6
Exact mass
212.0321
Mol weight
212.1562
Structure
Mol file
KCF file
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Reaction
R09277
R09278
Pathway
map00627
Aminobenzoate degradation
map01120
Microbial metabolism in diverse environments
Other DBs
CAS:
2134-91-0
PubChem:
124489012
ChEBI:
81684
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KCF data
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ATOM 15
1 C8x C 16.4500 -16.8700
2 C8y C 16.4500 -18.2700
3 C8y C 17.6624 -18.9700
4 C8y C 18.8749 -18.2700
5 C8x C 18.8749 -16.8700
6 C8y C 17.6624 -16.1700
7 C6a C 17.6624 -14.7702
8 O1a O 17.6624 -20.3698
9 C6a C 15.2376 -18.9700
10 O2a O 20.1060 -18.9810
11 O6a O 14.0421 -18.2796
12 O6a O 16.4332 -14.0603
13 O6a O 18.8580 -14.0798
14 O6a O 15.2375 -20.3698
15 C1a C 21.3112 -18.2853
BOND 15
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 6 7 1
8 3 8 1
9 2 9 1
10 4 10 1
11 9 11 2
12 7 12 2
13 7 13 1
14 9 14 1
15 10 15 1
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