KEGG   COMPOUND: C10469
Entry
C10469                      Compound                               
Name
Isoeugenol;
2-Methoxy-4-(prop-1-en-1-yl)phenol
Formula
C10H12O2
Exact mass
164.0837
Mol weight
164.20
Structure
Reaction
R07240 R09931 R12302
Pathway
map00940  Phenylpropanoid biosynthesis
Enzyme
1.1.1.319       1.13.11.88      2.1.1.146       2.1.1.279
Other DBs
CAS: 97-54-1
PubChem: 12652
ChEBI: 18224 50545
KNApSAcK: C00000620 C00035095
PDB-CCD: EUG[PDBj] H7Y[PDBj]
NIKKAJI: J3.221B
LinkDB
KCF data

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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