KEGG   COMPOUND: C04581Help
Entry
C04581                      Compound                               

Name
Tomentin;
3',4',5,6-Tetrahydroxy-3,7-dimethoxyflavone
Formula
C17H14O8
Exact mass
346.0689
Mol weight
346.2883
Structure
Mol fileKCF fileDB search
Reaction
Enzyme
Brite
Phytochemical compounds [BR:br08003]
 Flavonoids
  Flavonoids
   Flavonols
    C04581  Tomentin
BRITE hierarchy
Other DBs
CAS: 59171-23-2
PubChem: 7182
ChEBI: 27767
ChEMBL: CHEMBL485677
KNApSAcK: C00004685
3DMET: B00734
NIKKAJI: J638.463C
KCF data Show

ATOM        25
            1   C8y C    16.7590  -15.4687
            2   C8y C    16.7590  -16.8772
            3   C8y C    17.9755  -14.7516
            4   C8y C    15.5361  -14.7707
            5   O2x O    17.9883  -17.5815
            6   C8x C    15.5361  -17.5880
            7   C8y C    19.2047  -15.4559
            8   O5x O    17.9690  -13.3622
            9   C8y C    14.3260  -15.4687
            10  O1a O    15.5296  -13.3813
            11  C8y C    19.1475  -16.8837
            12  C8y C    14.3260  -16.8772
            13  O2a O    20.4084  -14.7579
            14  O1a O    13.1223  -14.7707
            15  C8y C    20.4213  -17.5752
            16  O2a O    13.1223  -17.5687
            17  C1a C    21.6187  -15.4494
            18  C8x C    20.4278  -18.9709
            19  C8x C    21.6250  -16.8837
            20  C1a C    11.9185  -16.8644
            21  C8y C    21.6250  -19.6752
            22  C8x C    22.8288  -17.5752
            23  C8y C    22.8351  -18.9709
            24  O1a O    21.6250  -21.0710
            25  O1a O    24.0451  -19.6624
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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