KEGG   COMPOUND: C09964Help
Entry
C09964                      Compound                               

Name
Purpurogallin
Formula
C11H8O5
Exact mass
220.0372
Mol weight
220.1782
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 569-77-7
PubChem: 12150
ChEBI: 8647
ChEMBL: CHEMBL66953
KNApSAcK: C00003013
PDB-CCD: TIY[PDBj]
3DMET: B03416
NIKKAJI: J20.746B
LinkDB All DBs
KCF data Show

ATOM        16
            1   C8y C    27.8426  -19.5765
            2   C8y C    27.8426  -18.1772
            3   C8y C    29.0554  -20.2763
            4   C5x C    26.7463  -20.4630
            5   C8x C    29.0554  -17.4832
            6   C2x C    26.7346  -17.3024
            7   C8y C    30.2625  -19.5765
            8   O1a O    29.0554  -21.6701
            9   C2y C    25.3760  -20.1655
            10  O5x O    27.0671  -21.8216
            11  C8y C    30.2625  -18.1829
            12  C2x C    25.3643  -17.6232
            13  O1a O    31.4696  -20.2763
            14  C2x C    24.7637  -18.9001
            15  O1a O    24.5129  -21.2561
            16  O1a O    31.4696  -17.4832
BOND        17
            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     4  10 2
            10    5  11 2
            11    6  12 2
            12    7  13 1
            13    9  14 2
            14    9  15 1
            15   11  16 1
            16    7  11 1
            17   12  14 1

» Japanese version

DBGET integrated database retrieval system