KEGG   COMPOUND: C10452Help
Entry
C10452                      Compound                               

Name
Estragole;
1-Methoxy-4-(2-propenyl)benzene;
Methylchavicol
Formula
C10H12O
Exact mass
148.0888
Mol weight
148.2017
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Phenylpropanoid biosynthesis
Enzyme
Brite
Phytochemical compounds [BR:br08003]
 Phenylpropanoids
  Monolignols
   Others
    C10452  Estragole
BRITE hierarchy
Other DBs
CAS: 
140-67-0
PubChem: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        11
            1   C8y C    27.2994  -17.0349
            2   C8x C    27.2994  -18.4349
            3   C8x C    26.0976  -16.3349
            4   C1b C    28.5069  -16.3349
            5   C8x C    26.0976  -19.1407
            6   C8x C    24.8784  -17.0349
            7   C2b C    29.7202  -17.0232
            8   C8y C    24.8784  -18.4349
            9   C2a C    30.9335  -16.3290
            10  O2a O    23.6652  -19.1407
            11  C1a C    22.4460  -18.4349
BOND        11
            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     7   9 2
            9     8  10 1
            10   10  11 1
            11    6   8 1

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