COMPOUND: C08476
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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 file
KCF file
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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
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KCF data
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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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