COMPOUND: C06317
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Entry
C06317 Compound
Name
Vanillyl alcohol;
4-Hydroxy-3-methoxy-benzenemethanol;
4-Hydroxy-3-methoxybenzyl alcohol;
4-Hydroxy-3-methoxybenzenemethanol
Formula
C8H10O3
Exact mass
154.063
Mol weight
154.1632
Structure
Mol file
KCF file
DB search
Reaction
R02877
Pathway
map00627
Aminobenzoate degradation
map01120
Microbial metabolism in diverse environments
Enzyme
1.1.3.38
Other DBs
CAS:
498-00-0
PubChem:
8553
ChEBI:
18353
3DMET:
B00930
NIKKAJI:
J28.483A
LinkDB
All DBs
KCF data
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ATOM 11
1 C8y C 27.2645 -18.7711
2 C8x C 27.2645 -17.3606
3 C8y C 26.0522 -19.4648
4 O2a O 28.4710 -19.4706
5 C8y C 26.0522 -16.6670
6 C8x C 24.8340 -18.7711
7 O1a O 26.0522 -20.8636
8 C8x C 24.8340 -17.3606
9 C1b C 26.0522 -15.2681
10 O1a O 27.2645 -14.5746
11 C1a C 29.7035 -18.7619
BOND 11
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 3 6 2
6 3 7 1
7 5 8 2
8 5 9 1
9 9 10 1
10 6 8 1
11 4 11 1
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