KEGG   COMPOUND: C10086Help
Entry
C10086                      Compound                               

Name
Norathyriol;
1,3,6,7-Tetrahydroxyxanthone
Formula
C13H8O6
Exact mass
260.0321
Mol weight
260.199
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Polyketides
  Pyrones
   Xanthenes
    C10086  Norathyriol
BRITE hierarchy
Other DBs
CAS: 3542-72-1
PubChem: 12272
ChEBI: 7622
ChEMBL: CHEMBL187265
KNApSAcK: C00002968
PDB-CCD: NRA[PDBj]
3DMET: B03527
NIKKAJI: J13.004D
KCF data Show

ATOM        19
            1   C8y C    23.6553  -14.8875
            2   C8y C    23.6436  -16.2921
            3   O2x O    24.8676  -14.1882
            4   C8x C    22.4431  -14.1823
            5   C8y C    24.8560  -16.9914
            6   C8y C    22.4431  -16.9857
            7   C8y C    26.0798  -14.8992
            8   C8y C    21.2250  -14.8875
            9   C8y C    26.1381  -16.2980
            10  O5x O    24.8560  -18.3959
            11  C8x C    21.2250  -16.2921
            12  O1a O    22.4431  -18.3902
            13  C8x C    27.2979  -14.2056
            14  O1a O    20.0186  -14.1823
            15  C8x C    27.2746  -17.0031
            16  C8y C    28.5043  -14.9225
            17  C8y C    28.4927  -16.3213
            18  O1a O    29.7167  -14.2289
            19  O1a O    29.6933  -17.0264
BOND        21
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 2
            8     5   9 1
            9     5  10 2
            10    6  11 2
            11    6  12 1
            12    7  13 1
            13    8  14 1
            14    9  15 1
            15   13  16 2
            16   15  17 2
            17   16  18 1
            18   17  19 1
            19    7   9 2
            20    8  11 1
            21   16  17 1

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