KEGG   COMPOUND: C10022Help
Entry
C10022                      Compound                               

Name
Azaleatin;
Quercetin 5-methyl ether
Formula
C16H12O7
Exact mass
316.0583
Mol weight
316.2623
Structure
Mol fileKCF fileDB search
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1211 Flavones and Flavonols
    C10022  Azaleatin
Phytochemical compounds [BR:br08003]
 Flavonoids
  Flavonoids
   Flavonols
    C10022  Azaleatin
BRITE hierarchy
Other DBs
CAS: 529-51-1
PubChem: 12208
ChEBI: 2945
ChEMBL: CHEMBL470848
KNApSAcK: C00004633
3DMET: B03466
NIKKAJI: J833H
KCF data Show

ATOM        23
            1   C8y C    27.0110  -16.9520
            2   C8y C    27.0051  -18.3556
            3   O2x O    28.2283  -16.2648
            4   C8x C    25.8054  -16.2589
            5   C8y C    25.8054  -19.0603
            6   C8y C    28.2166  -19.0662
            7   C8y C    29.4339  -16.9637
            8   C8y C    24.5881  -16.9520
            9   C8x C    24.5881  -18.3556
            10  O2a O    25.8054  -20.4581
            11  C8y C    29.4280  -18.3673
            12  O5x O    28.2107  -20.4640
            13  C8y C    30.6511  -16.2705
            14  O1a O    23.3709  -16.2589
            15  C1a C    24.5940  -21.1570
            16  O1a O    30.6395  -19.0719
            17  C8x C    30.6511  -14.8786
            18  C8x C    31.8567  -16.9811
            19  C8y C    31.8684  -14.1797
            20  C8x C    33.1440  -16.2881
            21  C8y C    33.0798  -14.8844
            22  O1a O    31.8741  -12.7760
            23  O1a O    34.2970  -14.1855
BOND        25
            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 2
            9     5  10 1
            10    6  11 1
            11    6  12 2
            12    7  13 1
            13    8  14 1
            14   10  15 1
            15   11  16 1
            16   13  17 1
            17   13  18 2
            18   17  19 2
            19   18  20 1
            20   19  21 1
            21   19  22 1
            22   21  23 1
            23    7  11 2
            24    8   9 1
            25   20  21 2

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