KEGG   COMPOUND: C05851Help
Entry
C05851                      Compound                               

Name
Coumarin;
Coumarine;
Cumarin;
2H-1-Benzopyran-2-one;
1,2-Benzopyrone;
2-Propenoic acid, 3-(2-hydroxyphenyl)-, delta-lactone;
5,6-Benzo-2-pyrone;
Benzo-alpha-pyrone;
cis-o-Coumarinic acid lactone;
Coumarinic anhydride;
o-Hydroxycinnamic acid lactone;
Rattex;
Tonka bean camphor
Formula
C9H6O2
Exact mass
146.0368
Mol weight
146.1427
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: D07751
Reaction
Pathway
map00940  Phenylpropanoid biosynthesis
map01110  Biosynthesis of secondary metabolites
Brite
Phytochemical compounds [BR:br08003]
 Phenylpropanoids
  Coumarins
   Coumarins
    C05851  Coumarin
Carcinogens [BR:br08008]
 Group 3: Not classifiable as to its carcinogenicity to humans
  Compounds
   C05851  Coumarin
BRITE hierarchy
Other DBs
CAS: 91-64-5
PubChem: 8144
ChEBI: 28794
ChEMBL: CHEMBL6466
KNApSAcK: C00002460
PDB-CCD: COU[PDBj]
3DMET: B00867
NIKKAJI: J3.218B
KCF data Show

ATOM        11
            1   C8y C    23.7472  -19.8162
            2   C8y C    23.7589  -18.4153
            3   O7x O    24.9497  -20.5283
            4   C8x C    22.5332  -20.5167
            5   C8x C    24.9731  -17.7323
            6   C8x C    22.5449  -17.7091
            7   C8y C    26.1637  -19.8396
            8   C8x C    21.3133  -19.8045
            9   C8x C    26.1813  -18.4444
            10  C8x C    21.2609  -18.4036
            11  O6a O    27.3720  -20.5400
BOND        12
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 2
            8     5   9 2
            9     6  10 2
            10    7  11 2
            11    7   9 1
            12    8  10 1

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