KEGG   COMPOUND: C03093
Entry
C03093                      Compound                               

Name
7,8-Dihydroxycoumarin;
Daphnetin
Formula
C9H6O4
Exact mass
178.0266
Mol weight
178.1415
Structure
Reaction
Enzyme
Brite
Phytochemical compounds [BR:br08003]
 Phenylpropanoids
  Coumarins
   Coumarins
    C03093  7,8-Dihydroxycoumarin
Other DBs
CAS: 486-35-1
PubChem: 5991
ChEBI: 17313
ChEMBL: CHEMBL244948
KNApSAcK: C00002462
3DMET: B00541
NIKKAJI: J6.008I
KCF data

ATOM        13
            1   C8y C    28.3210  -17.9952
            2   C8y C    28.3210  -19.4041
            3   C8y C    27.0992  -17.2820
            4   O7x O    29.5488  -17.2820
            5   C8x C    27.0992  -20.0940
            6   C8x C    29.5428  -20.1231
            7   C8y C    25.8951  -17.9952
            8   O1a O    27.0935  -15.8849
            9   C8y C    30.6360  -18.0186
            10  C8x C    25.8951  -19.4041
            11  C8x C    30.6302  -19.4392
            12  O1a O    24.6908  -17.2937
            13  O6a O    31.9805  -17.2879
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     3   8 1
            8     4   9 1
            9     5  10 2
            10    6  11 2
            11    7  12 1
            12    9  13 2
            13    7  10 1
            14    9  11 1

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