KEGG   COMPOUND: C07216
Entry
C07216                      Compound                               
Name
3-Methylbenzyl alcohol
Formula
C8H10O
Exact mass
122.0732
Mol weight
122.1644
Structure
Reaction
R05347 R05443
Pathway
map00622  Xylene degradation
map01100  Metabolic pathways
map01120  Microbial metabolism in diverse environments
map01220  Degradation of aromatic compounds
Module
M00537  Xylene degradation, xylene => methylbenzoate
Enzyme
1.1.1.90        1.14.15.26
Other DBs
CAS: 587-03-1
PubChem: 9425
ChEBI: 180405 27995
PDB-CCD: B74[PDBj]
3DMET: B01083
NIKKAJI: J134.611C
LinkDB
KCF data

ATOM        9
            1   C8y C    25.8464  -20.2160
            2   C8x C    27.0574  -20.9121
            3   C8x C    24.6295  -20.9121
            4   C1b C    25.8464  -18.8178
            5   C8y C    27.0574  -22.3161
            6   C8x C    24.6295  -22.3161
            7   O1a O    27.0574  -18.1158
            8   C8x C    25.8464  -23.0121
            9   C1a C    28.2683  -23.0121
BOND        9
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 2
            6     4   7 1
            7     5   8 2
            8     5   9 1
            9     6   8 1

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