COMPOUND: C15076
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Entry
C15076 Compound
Name
5,6,7,4'-Tetramethoxyisoflavone;
3-(4-Methoxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one
Formula
C19H18O6
Exact mass
342.1103
Mol weight
342.3426
Structure
Mol file
KCF file
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Brite
Lipids [BR:
br08002
]
PK Polyketides
PK12 Flavonoids
PK1205 Isoflavonoids
C15076 5,6,7,4'-Tetramethoxyisoflavone
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Other DBs
CAS:
4332-73-4
PubChem:
17396073
ChEBI:
79596
NIKKAJI:
J2.792.347J
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KCF data
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ATOM 25
1 C8y C 20.4708 -16.4246
2 C8y C 20.4708 -17.8218
3 C8y C 21.6809 -18.5205
4 C8y C 22.8913 -17.8218
5 C8x 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 O2a O 16.8213 -15.7147
12 O2a O 16.8213 -18.5316
13 O2a O 19.2606 -19.9179
14 O5x O 21.6808 -19.9389
15 C1a C 18.0263 -20.6301
16 C1a C 15.6010 -17.8272
17 C1a C 16.8222 -14.2802
18 C8y C 24.1149 -18.5280
19 C8x C 24.0456 -19.9495
20 C8x C 25.3284 -20.6489
21 C8y C 26.5405 -19.9483
22 C8x C 26.5397 -18.5268
23 C8x C 25.3269 -17.8274
24 O2a O 27.7461 -20.6436
25 C1a C 28.9358 -19.9558
BOND 27
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 8 11 1
13 9 12 1
14 10 13 1
15 3 14 2
16 13 15 1
17 12 16 1
18 11 17 1
19 4 18 1
20 18 19 2
21 19 20 1
22 20 21 2
23 21 22 1
24 22 23 2
25 18 23 1
26 21 24 1
27 24 25 1
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