KEGG   COMPOUND: C00389
Entry
C00389                      Compound                               
Name
Quercetin;
3,3',4,5,7-Pentahydroxyflavone;
3,5,7,3',4'-Pentahydroxyflavone
Formula
C15H10O7
Exact mass
302.0427
Mol weight
302.23
Structure
Reaction
R02156 R02157 R02158 R02159 R02160 R02436 R06538 R06810
R09803 R10258 R13065 R13067
Pathway
map00941  Flavonoid biosynthesis
map00944  Flavone and flavonol biosynthesis
map00946  Degradation of flavonoids
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
map04152  AMPK signaling pathway
Enzyme
1.13.11.24      1.14.14.81      1.14.14.82      1.14.20.6       
2.1.1.76        2.4.1.91        2.4.1.237       2.4.1.-         
2.8.2.25        3.2.1.21        3.2.1.40
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1211 Flavones and Flavonols
    C00389  Quercetin
Phytochemical compounds [BR:br08003]
 Flavonoids
  Flavonoids
   Flavonols
    C00389  Quercetin
Secondary metabolites in pathway maps [br08011.html]
 Biosynthetic pathways and modules of secondary metabolites
  C00389
Dietary phytochemicals [br08012.html]
 Flavonoids
  C00389
Other DBs
CAS: 117-39-5
PubChem: 3679
ChEBI: 16243
LIPIDMAPS: LMPK12110004
KNApSAcK: C00004631
PDB-CCD: QUE[PDBj]
NIKKAJI: J2.907F
LinkDB
KCF data

ATOM        22
            1   C8y C    23.8117  -16.8649
            2   C8y C    23.8176  -15.4662
            3   C8y C    25.0242  -17.5703
            4   C8y C    22.6051  -17.5644
            5   O2x O    25.0358  -14.7667
            6   C8x C    22.6051  -14.7608
            7   C8y C    26.2307  -16.8766
            8   O5x O    25.0183  -18.9693
            9   C8x C    21.3870  -16.8649
            10  O1a O    22.6110  -18.9633
            11  C8y C    26.2365  -15.4719
            12  C8y C    21.3870  -15.4662
            13  O1a O    27.4373  -17.5761
            14  C8y C    27.4547  -14.7724
            15  O1a O    20.1745  -14.7608
            16  C8x C    28.6613  -15.4895
            17  C8x C    27.4606  -13.3794
            18  C8y C    29.8795  -14.7900
            19  C8x C    28.6789  -12.6857
            20  C8y C    29.8853  -13.3852
            21  O1a O    31.0861  -15.4895
            22  O1a O    31.1035  -12.6974
BOND        24
            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   11  14 1
            14   12  15 1
            15   14  16 2
            16   14  17 1
            17   16  18 1
            18   17  19 2
            19   18  20 2
            20   18  21 1
            21   20  22 1
            22    7  11 2
            23    9  12 2
            24   19  20 1

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