KEGG   COMPOUND: C09263Help
Entry
C09263                      Compound                               

Name
Esculetin;
Aesculetin
Formula
C9H6O4
Exact mass
178.0266
Mol weight
178.1415
Structure
Mol fileKCF fileDB searchJmolKegDraw
Pathway
Biosynthesis of phenylpropanoids
Brite
Phytochemical compounds [BR:br08003]
 Phenylpropanoids
  Coumarins
   Coumarins
    C09263  Esculetin
BRITE hierarchy
Other DBs
CAS: 
305-01-1
PubChem: 
ChEBI: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        13
            1   C8y C    28.3325  -17.3890
            2   C8y C    28.3849  -16.0011
            3   C8x C    27.1020  -18.0655
            4   O7x O    29.5162  -18.1355
            5   C8x C    27.1894  -15.2606
            6   C8x C    29.6153  -15.3480
            7   C8y C    25.9765  -17.3248
            8   C8y C    30.8167  -17.4064
            9   C8y C    25.9532  -15.9194
            10  C8x C    30.7991  -16.0828
            11  O1a O    24.6703  -17.9895
            12  O6a O    31.9362  -18.2229
            13  O1a O    24.7578  -15.1846
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    9  13 1
            13    7   9 1
            14    8  10 1

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