COMPOUND: C10833
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Entry
C10833 Compound
Name
Syringic acid;
Syringate;
4-Hydroxy-3,5-dimethoxybenzoate;
Gallic acid 3,5-dimethyl ether
Formula
C9H10O5
Exact mass
198.0528
Mol weight
198.1727
Structure
Mol file
KCF file
DB search
Reaction
R09270
Pathway
map00627
Aminobenzoate degradation
map01120
Microbial metabolism in diverse environments
Enzyme
2.1.1.-
Brite
Dietary phytochemicals [
br08012.html
]
Flavonoids
C10833
BRITE hierarchy
Other DBs
CAS:
530-57-4
PubChem:
13016
ChEBI:
68329
KNApSAcK:
C00002674
PDB-CCD:
IJP
[
PDBj
]
3DMET:
B04167
NIKKAJI:
J11.712I
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All DBs
KCF data
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ATOM 14
1 C8y C 26.7974 -20.5778
2 C8y C 28.0150 -21.2687
3 C8y C 29.1572 -20.5580
4 C8x C 29.2122 -19.1591
5 C8y C 27.9944 -18.4681
6 C8x C 26.7919 -19.1763
7 O1a O 28.0287 -22.6714
8 O2a O 25.5923 -21.2890
9 O2a O 30.4458 -21.2475
10 C6a C 27.9884 -17.0690
11 O6a O 29.1936 -16.3583
12 O6a O 26.7714 -16.3772
13 C1a C 24.3907 -20.6101
14 C1a C 31.6408 -20.5438
BOND 14
1 2 7 1
2 1 2 1
3 1 8 1
4 2 3 2
5 3 4 1
6 3 9 1
7 4 5 2
8 5 6 1
9 5 10 1
10 6 1 2
11 10 11 1
12 10 12 2
13 8 13 1
14 9 14 1
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