COMPOUND: C00389
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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
Mol file
KCF file
DB search
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
BRITE hierarchy
Other DBs
CAS:
117-39-5
PubChem:
3679
ChEBI:
16243
LIPIDMAPS:
LMPK12110004
KNApSAcK:
C00004631
PDB-CCD:
QUE
[
PDBj
]
NIKKAJI:
J2.907F
LinkDB
All DBs
KCF data
Show
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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