COMPOUND: C15100
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Entry
C15100 Compound
Name
4',6-Dihydroxy-5,7-dimethoxyflavone;
6-Hydroxy-2-(4-hydroxyphenyl)-5,7-dimethoxy-4H-1-benzopyran-4-one
Formula
C17H14O6
Exact mass
314.079
Mol weight
314.2895
Structure
Mol file
KCF file
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Brite
Lipids [BR:
br08002
]
PK Polyketides
PK12 Flavonoids
PK1211 Flavones and Flavonols
C15100 4',6-Dihydroxy-5,7-dimethoxyflavone
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Other DBs
CAS:
33028-99-8
PubChem:
17396097
ChEBI:
79619
NIKKAJI:
J2.792.781E
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KCF data
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ATOM 23
1 C8y C 20.4708 -16.4246
2 C8y C 20.4708 -17.8218
3 C8y C 21.6809 -18.5205
4 C8x C 22.8913 -17.8218
5 C8y C 22.8913 -16.4246
6 O2x O 21.6809 -15.7258
7 C8x C 19.2606 -15.7258
8 C8y C 18.0502 -16.4246
9 C8y C 18.0502 -17.8218
10 C8y C 19.2606 -18.5205
11 C8y C 24.1200 -15.7147
12 C8x C 25.3229 -16.4093
13 C8x C 26.5330 -15.7103
14 C8y C 26.5330 -14.3128
15 C8x C 25.3301 -13.6185
16 C8x C 24.1199 -14.3172
17 O1a O 27.7488 -13.6108
18 O2a O 16.8213 -15.7147
19 O1a O 16.8213 -18.5316
20 O2a O 19.2606 -19.9179
21 O5x O 21.6808 -19.9389
22 C1a C 18.0263 -20.6301
23 C1a C 16.8222 -14.2802
BOND 25
1 1 2 2
2 2 3 1
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 1
7 1 7 1
8 7 8 2
9 8 9 1
10 9 10 2
11 2 10 1
12 5 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 14 17 1
20 8 18 1
21 9 19 1
22 10 20 1
23 3 21 2
24 20 22 1
25 18 23 1
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