KEGG   COMPOUND: C09315Help
Entry
C09315                      Compound                               

Name
Umbelliferone;
7-Hydroxycoumarin
Formula
C9H6O3
Exact mass
162.0317
Mol weight
162.1421
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00940  Phenylpropanoid biosynthesis
map01061  Biosynthesis of phenylpropanoids
map01110  Biosynthesis of secondary metabolites
Enzyme
2.5.1.138       2.5.1.139       2.5.1.-
Brite
Phytochemical compounds [BR:br08003]
 Phenylpropanoids
  Coumarins
   Coumarins
    C09315  Umbelliferone
BRITE hierarchy
Other DBs
CAS: 93-35-6
PubChem: 11506
ChEBI: 27510
ChEMBL: CHEMBL51628
KNApSAcK: C00002503
PDB-CCD: 07L[PDBj]
3DMET: B02855
NIKKAJI: J4.673F
KCF data Show

ATOM        12
            1   C8y C    28.8400  -17.6400
            2   C8y C    28.8400  -16.2400
            3   C8x C    27.6500  -18.3400
            4   C8x C    30.0300  -18.3400
            5   C8x C    27.6500  -15.5400
            6   O7x O    30.0300  -15.5400
            7   C8x C    26.3900  -17.6400
            8   C8x C    31.2900  -17.6400
            9   C8y C    26.3900  -16.2400
            10  C8y C    31.2900  -16.2400
            11  O1a O    25.2000  -15.5400
            12  O6a O    32.4800  -15.5400
BOND        13
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     4   8 2
            8     5   9 2
            9     6  10 1
            10    9  11 1
            11   10  12 2
            12    7   9 1
            13    8  10 1

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