KEGG   COMPOUND: C04444Help
Entry
C04444                      Compound                               

Name
3,7,4'-Tri-O-methylquercetin;
3',5-Dihydroxy-3,4',7-trimethoxyflavone
Formula
C18H16O7
Exact mass
344.0896
Mol weight
344.3154
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00944  Flavone and flavonol biosynthesis
Enzyme
Brite
Phytochemical compounds [BR:br08003]
 Flavonoids
  Flavonoids
   Flavonols
    C04444  3,7,4'-Tri-O-methylquercetin
BRITE hierarchy
Other DBs
PubChem: 7073
ChEBI: 27825
ChEMBL: CHEMBL74898
KNApSAcK: C00004647
3DMET: B00715
NIKKAJI: J11.536C
KCF data Show

ATOM        25
            1   C8y C    24.6256  -16.5632
            2   C8x C    24.6256  -17.9637
            3   C8y C    25.8414  -18.6640
            4   C8x C    25.8414  -15.8630
            5   C8y C    27.0500  -16.5632
            6   C8y C    27.0439  -17.9637
            7   C8y C    28.2538  -18.6693
            8   C8y C    29.4698  -17.9741
            9   C8y C    29.4757  -16.5736
            10  O2x O    28.2658  -15.8683
            11  C8y C    30.6915  -15.8786
            12  C8x C    31.8976  -16.5874
            13  C8y C    33.1136  -15.8922
            14  C8y C    33.1195  -14.4917
            15  C8x C    31.9097  -13.7864
            16  C8x C    30.6939  -14.4813
            17  O2a O    34.3353  -13.7967
            18  O2a O    30.6796  -18.6796
            19  O5x O    28.2478  -20.0698
            20  O1a O    25.8446  -20.0645
            21  O2a O    23.4130  -15.8625
            22  O1a O    34.3235  -16.5977
            23  C1a C    22.1997  -16.5621
            24  C1a C    35.5452  -14.5021
            25  C1a C    30.6660  -20.0788
BOND        27
            1     2   3 1
            2     3   6 2
            3     5   4 2
            4     4   1 1
            5    11  12 2
            6    12  13 1
            7    13  14 2
            8    14  15 1
            9    15  16 2
            10   16  11 1
            11    5   6 1
            12   14  17 1
            13    6   7 1
            14    8  18 1
            15    7   8 1
            16    7  19 2
            17    8   9 2
            18    3  20 1
            19    9  10 1
            20    1  21 1
            21   10   5 1
            22   13  22 1
            23   21  23 1
            24    9  11 1
            25   17  24 1
            26    1   2 2
            27   18  25 1

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