KEGG   COMPOUND: C04552
Entry
C04552                      Compound                               
Name
Chrysosplenol D;
3',4',5-Trihydroxy-3,6,7-trimethoxyflavone
Formula
C18H16O8
Exact mass
360.0845
Mol weight
360.3148
Structure
Reaction
Enzyme
Brite
Phytochemical compounds [BR:br08003]
 Flavonoids
  Flavonoids
   Flavonols
    C04552  Chrysosplenol D
Other DBs
CAS: 14965-20-9
PubChem: 7157
ChEBI: 18016
LIPIDMAPS: LMPK12112998
KNApSAcK: C00004692
3DMET: B00731
NIKKAJI: J14.308A
KCF data

ATOM        26
            1   C8y C    17.4300  -17.7100
            2   C8y C    17.4300  -16.3100
            3   C8y C    18.6200  -18.4800
            4   C8y C    16.1700  -18.4100
            5   O2x O    18.6200  -15.6100
            6   C8x C    16.1700  -15.6100
            7   C8y C    19.8800  -17.7100
            8   O5x O    18.6200  -19.8100
            9   C8y C    14.9800  -17.7100
            10  O1a O    16.1700  -19.8100
            11  C8y C    19.8800  -16.3100
            12  C8y C    14.9800  -16.3100
            13  O2a O    21.0700  -18.4800
            14  O2a O    13.7900  -18.4100
            15  C8y C    21.0700  -15.6100
            16  O2a O    13.7900  -15.6100
            17  C1a C    22.2600  -17.7800
            18  C8x C    21.0700  -14.2100
            19  C8x C    22.2600  -16.3100
            20  C1a C    12.6000  -16.3100
            21  C8y C    22.2600  -13.5100
            22  C8x C    23.5200  -15.6100
            23  C8y C    23.5200  -14.2100
            24  O1a O    22.2600  -12.1100
            25  O1a O    24.7100  -13.5100
            26  C1a C    12.5719  -17.7199
BOND        28
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 2
            8     4   9 1
            9     4  10 1
            10    5  11 1
            11    6  12 1
            12    7  13 1
            13    9  14 1
            14   11  15 1
            15   12  16 1
            16   13  17 1
            17   15  18 1
            18   15  19 2
            19   16  20 1
            20   18  21 2
            21   19  22 1
            22   21  23 1
            23   21  24 1
            24   23  25 1
            25    7  11 2
            26    9  12 2
            27   22  23 2
            28   14  26 1

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