COMPOUND: C21420
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Entry
C21420 Compound
Name
(3,4-Dimethoxyphenyl)methanol;
Veratryl alcohol;
3,4-Dimethoxybenzyl alcohol
Formula
C9H12O3
Exact mass
168.0786
Mol weight
168.19
Structure
Mol file
KCF file
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Reaction
R11502
Enzyme
1.11.1.14
Other DBs
CAS:
93-03-8
PubChem:
328082963
PDB-CCD:
VOH
[
PDBj
]
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KCF data
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ATOM 12
1 C8y C 19.2203 -16.8731
2 C8y C 17.9956 -17.5846
3 C8x C 19.2203 -15.4621
4 O2a O 20.4259 -17.5655
5 C8x C 16.7900 -16.8731
6 O2a O 17.9891 -18.9762
7 C8y C 17.9956 -14.7633
8 C1a C 20.4322 -18.9633
9 C8x C 16.7900 -15.4621
10 C1a C 16.7835 -19.6750
11 C1b C 17.9891 -13.3718
12 O1a O 16.7835 -12.6728
BOND 12
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 2
7 4 8 1
8 5 9 2
9 6 10 1
10 7 11 1
11 11 12 1
12 7 9 1
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