KEGG   COMPOUND: C08476Help
Entry
C08476                      Compound                               

Name
Chelidonic acid;
4-Oxo-4H-pyran-2,6-dicarboxylic acid
Formula
C7H4O6
Exact mass
184.0008
Mol weight
184.1031
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Polyketides
  Pyrones
   Monocyclic gamma-pyrones
    C08476  Chelidonic acid
BRITE hierarchy
Other DBs
CAS: 99-32-1
PubChem: 10669
ChEBI: 3586
KNApSAcK: C00001304
PDB-CCD: HLD[PDBj]
NIKKAJI: J4.968I
KCF data Show

ATOM        13
            1   C8y C    24.9686  -22.8432
            2   O2x O    26.1800  -23.5419
            3   C8x C    24.9686  -21.4453
            4   C6a C    23.7512  -23.5419
            5   C8y C    27.3914  -22.8432
            6   C8y C    26.1800  -20.7404
            7   O6a O    22.5397  -22.8432
            8   O6a O    23.7512  -24.9398
            9   C8x C    27.3914  -21.4453
            10  C6a C    28.6088  -23.5419
            11  O5x O    26.1857  -19.3368
            12  O6a O    29.8203  -22.8432
            13  O6a O    28.6088  -24.9398
BOND        13
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     4   7 1
            7     4   8 2
            8     5   9 2
            9     5  10 1
            10    6  11 2
            11   10  12 1
            12   10  13 2
            13    6   9 1

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