COMPOUND: C04444
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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 file
KCF file
DB search
Reaction
R03456
Pathway
map00944
Flavone and flavonol biosynthesis
map01110
Biosynthesis of secondary metabolites
Enzyme
2.1.1.83
Brite
Phytochemical compounds [BR:
br08003
]
Flavonoids
Flavonoids
Flavonols
C04444 3,7,4'-Tri-O-methylquercetin
BRITE hierarchy
Other DBs
PubChem:
7073
ChEBI:
27825
LIPIDMAPS:
LMPK12112762
KNApSAcK:
C00004647
3DMET:
B00715
NIKKAJI:
J11.536C
LinkDB
All DBs
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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