KEGG   COMPOUND: C10069
Entry
C10069                      Compound                               
Name
Isoathyriol;
6-Methoxy-1,3,7-trihydroxyxanthone
Formula
C14H10O6
Exact mass
274.0477
Mol weight
274.2256
Structure
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK13 Aromatic polyketides
   PK1306 Dibenzofurans, griseofulvins, dibenzopyrans and xanthones
    C10069  Isoathyriol
Phytochemical compounds [BR:br08003]
 Polyketides
  Pyrones
   Xanthenes
    C10069  Isoathyriol
Other DBs
CAS: 59092-97-6
PubChem: 12255
ChEBI: 5982
KNApSAcK: C00002956
3DMET: B03511
KCF data

ATOM        20
            1   C8y C    23.0082  -14.9342
            2   C8y C    23.0023  -16.3328
            3   O2x O    24.2204  -14.2349
            4   C8x C    21.7960  -14.2290
            5   C8y C    24.2087  -17.0380
            6   C8y C    21.7960  -17.0321
            7   C8y C    25.4326  -14.9459
            8   C8y C    20.5838  -14.9342
            9   C8y C    25.4210  -16.3387
            10  O5x O    24.2029  -18.4367
            11  C8x C    20.5838  -16.3328
            12  O1a O    21.8019  -18.4308
            13  C8x C    26.6507  -14.2523
            14  O1a O    19.3658  -14.2290
            15  C8x C    26.6214  -17.0497
            16  C8y C    27.8511  -14.9633
            17  C8y C    27.8395  -16.3620
            18  O2a O    29.0749  -14.2699
            19  O1a O    29.0516  -17.0730
            20  C1a C    30.2813  -14.9866
BOND        22
            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   18  20 1
            20    7   9 2
            21    8  11 1
            22   16  17 1

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