KEGG   COMPOUND: C10469Help
Entry
C10469                      Compound                               

Name
Isoeugenol
Formula
C10H12O2
Exact mass
164.0837
Mol weight
164.2011
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
map00940  Phenylpropanoid biosynthesis
Enzyme
1.1.1.319       2.1.1.146       2.1.1.279
Other DBs
CAS: 97-54-1
PubChem: 12652
ChEBI: 18224 50545
ChEMBL: CHEMBL193598
KNApSAcK: C00000620 C00035095
PDB-CCD: EUG[PDBj] H7Y[PDBj]
3DMET: B03874
NIKKAJI: J3.221B
KCF data Show

ATOM        12
            1   C8y C    27.0784  -16.2400
            2   C8x C    28.2975  -15.5400
            3   C8y C    27.0784  -17.6400
            4   O2a O    25.8652  -15.5400
            5   C8y C    29.4992  -16.2400
            6   C8x C    28.2975  -18.3457
            7   O1a O    25.8592  -18.3457
            8   C1a C    24.6518  -16.2283
            9   C8x C    29.4992  -17.6400
            10  C2b C    30.7065  -15.5400
            11  C2b C    31.9199  -16.2400
            12  C1a C    33.1331  -15.5400
BOND        12
            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     4   8 1
            8     5   9 2
            9     5  10 1
            10   10  11 2
            11   11  12 1
            12    6   9 1

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