KEGG   COMPOUND: C09268Help
Entry
C09268                      Compound                               

Name
Herniarin;
7-Methoxycoumarin
Formula
C10H8O3
Exact mass
176.0473
Mol weight
176.1687
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Phenylpropanoids
  Coumarins
   Coumarins
    C09268  Herniarin
BRITE hierarchy
Other DBs
CAS: 531-59-9
PubChem: 11459
ChEBI: 5679
ChEMBL: CHEMBL49732
KNApSAcK: C00002476
3DMET: B02814
NIKKAJI: J11.715C
LinkDB All DBs
KCF data Show

ATOM        13
            1   C8y C    28.9100  -16.0300
            2   C8y C    28.9100  -17.4300
            3   C8x C    27.7200  -15.2600
            4   O7x O    30.1000  -15.4000
            5   C8x C    27.5800  -18.0600
            6   C8x C    30.0300  -18.2000
            7   C8y C    26.4600  -15.9600
            8   C8y C    31.2900  -16.1700
            9   C8x C    26.4600  -17.3600
            10  C8x C    31.2900  -17.5000
            11  O2a O    25.2700  -15.1900
            12  O6a O    32.5500  -15.4700
            13  C1a C    24.0100  -15.8200
BOND        14
            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 1
            8     5   9 2
            9     6  10 2
            10    7  11 1
            11    8  12 2
            12   11  13 1
            13    7   9 1
            14    8  10 1

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