KEGG   COMPOUND: C10428Help
Entry
C10428                      Compound                               

Name
Anethole;
t-Anethole;
trans-Anethole
Formula
C10H12O
Exact mass
148.0888
Mol weight
148.2017
Structure
Mol fileKCF fileDB search
Remark
Same as: D02377
Reaction
Pathway
map00940  Phenylpropanoid biosynthesis
Enzyme
Brite
Phytochemical compounds [BR:br08003]
 Phenylpropanoids
  Monolignols
   Others
    C10428  Anethole
Major components of natural products [BR:br08323]
 Crude drugs
  Fennel oil
   C10428  Anethole
  Fennel
   C10428  Anethole
 Essential oils
  Fennel oil
   C10428  Anethole
  Anise oil
   C10428  Anethole
  Star anise oil (China)
   C10428  Anethole
  Star anise oil (Vietnam)
   C10428  Anethole
 Medicinal herbs
  Fennel
   C10428  Anethole
BRITE hierarchy
Other DBs
CAS: 4180-23-8 104-46-1
PubChem: 12613
ChEBI: 35616
ChEMBL: CHEMBL452630
KNApSAcK: C00002713 C00029334
3DMET: B03836
NIKKAJI: J4.026F
KCF data Show

ATOM        11
            1   C8y C    21.8400  -16.6484
            2   C8x C    21.8400  -18.0484
            3   C8x C    20.6383  -15.9484
            4   C2b C    23.0476  -15.9484
            5   C8x C    20.6383  -18.7542
            6   C8x C    19.4191  -16.6484
            7   C2b C    24.2608  -16.6367
            8   C8y C    19.4191  -18.0484
            9   C1a C    25.4741  -15.9424
            10  O2a O    18.2058  -18.7542
            11  C1a C    16.9866  -18.0484
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 2
            7     5   8 2
            8     7   9 1
            9     8  10 1
            10   10  11 1
            11    6   8 1

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