KEGG   COMPOUND: C04581
Entry
C04581                      Compound                               
Name
Tomentin;
3',4',5,6-Tetrahydroxy-3,7-dimethoxyflavone
Formula
C17H14O8
Exact mass
346.0689
Mol weight
346.2883
Structure
Reaction
Enzyme
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1211 Flavones and Flavonols
    C04581  Tomentin
Phytochemical compounds [BR:br08003]
 Flavonoids
  Flavonoids
   Flavonols
    C04581  Tomentin
Other DBs
CAS: 59171-23-2
PubChem: 7182
ChEBI: 27767
LIPIDMAPS: LMPK12112991
KNApSAcK: C00004685
3DMET: B00734
NIKKAJI: J638.463C
KCF data

ATOM        25
            1   C8y C    17.4300  -17.7100
            2   C8y C    17.4300  -16.3100
            3   C8y C    18.6900  -18.4100
            4   C8y C    16.2400  -18.4100
            5   O2x O    18.6900  -15.6100
            6   C8x C    16.2400  -15.6100
            7   C8y C    19.8800  -17.7100
            8   O5x O    18.6900  -19.8100
            9   C8y C    15.0500  -17.7100
            10  O1a O    16.2400  -19.8100
            11  C8y C    19.8800  -16.3100
            12  C8y C    15.0500  -16.3100
            13  O2a O    21.1400  -18.4100
            14  O1a O    13.7900  -18.4100
            15  C8y C    21.1400  -15.6100
            16  O2a O    13.7900  -15.6100
            17  C1a C    22.3300  -17.7100
            18  C8x C    21.1400  -14.2100
            19  C8x C    22.3300  -16.3100
            20  C1a C    12.6000  -16.3100
            21  C8y C    22.3300  -13.5100
            22  C8x C    23.5200  -15.6100
            23  C8y C    23.5200  -14.2100
            24  O1a O    22.3300  -12.1100
            25  O1a O    24.7100  -13.5100
BOND        27
            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

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