KEGG   COMPOUND: C20414Help
Entry
C20414                      Compound                               

Name
4-Hydroxycoumarin
Formula
C9H6O3
Exact mass
162.0317
Mol weight
162.1421
Structure
Mol fileKCF fileDB search
Reaction
Enzyme
Other DBs
CAS: 1076-38-6
PubChem: 163312151
ChEMBL: CHEMBL301141
PDB-CCD: 4HC[PDBj]
KCF data Show

ATOM        12
            1   C8y C    18.0598  -16.8733
            2   C8y C    18.0715  -15.4776
            3   O7x O    19.3279  -17.5828
            4   C8x C    16.8503  -17.5712
            5   C8y C    19.2812  -14.7971
            6   C8x C    16.8620  -14.7740
            7   C8y C    20.5375  -16.8966
            8   C8x C    15.6349  -16.8616
            9   C8x C    20.4850  -15.5066
            10  C8x C    15.5827  -15.4659
            11  O6a O    21.6713  -17.5944
            12  O1a O    19.2262  -13.3708
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 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
            13    5  12 1

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