KEGG   COMPOUND: C16188Help
Entry
C16188                      Compound                               

Name
7-Hydroxy-2',4',5'-trimethoxyisoflavone
Formula
C18H16O6
Exact mass
328.0947
Mol weight
328.316
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00943  Isoflavonoid biosynthesis
map01110  Biosynthesis of secondary metabolites
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1205 Isoflavonoids
    C16188  7-Hydroxy-2',4',5'-trimethoxyisoflavone
Phytochemical compounds [BR:br08003]
 Flavonoids
  Isoflavonoids
   Isoflavones
    C16188  7-Hydroxy-2',4',5'-trimethoxyisoflavone
BRITE hierarchy
Other DBs
PubChem: 47205496
ChEBI: 80369
ChEMBL: CHEMBL455048
KNApSAcK: C00009413
NIKKAJI: J2.798.749D
KCF data Show

ATOM        24
            1   C8y C    17.7100  -24.4300
            2   C8x C    17.7100  -25.8300
            3   C8x C    18.9224  -26.5300
            4   C8y C    20.1349  -25.8300
            5   C8y C    20.1349  -24.4300
            6   C8x C    18.9224  -23.7300
            7   C8y C    21.3473  -26.5300
            8   C8y C    22.5597  -25.8300
            9   C8x C    22.5597  -24.4300
            10  O2x O    21.3473  -23.7300
            11  C8y C    23.7573  -26.5215
            12  C8x C    23.7573  -27.9297
            13  C8y C    24.9698  -28.6297
            14  C8y C    26.1822  -27.9297
            15  C8x C    26.1822  -26.5215
            16  C8y C    24.9697  -25.8215
            17  O2a O    24.9698  -30.0299
            18  C1a C    26.1974  -30.7387
            19  O2a O    27.3931  -28.6288
            20  C1a C    28.5876  -27.9390
            21  O2a O    24.9698  -24.4301
            22  C1a C    23.7726  -23.7388
            23  O5x O    21.3473  -27.9300
            24  O1a O    16.4976  -23.7300
BOND        26
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11    5  10 1
            12    8  11 1
            13   11  12 2
            14   12  13 1
            15   13  14 2
            16   14  15 1
            17   15  16 2
            18   11  16 1
            19   13  17 1
            20   17  18 1
            21   14  19 1
            22   19  20 1
            23   16  21 1
            24   21  22 1
            25    7  23 2
            26    1  24 1

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