COMPOUND: C01484
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Entry
C01484 Compound
Name
Chalcone;
Benzylideneacetophenone;
1,3-Diphenyl-2-propen-1-one
Formula
C15H12O
Exact mass
208.0888
Mol weight
208.25
Structure
Mol file
KCF file
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Brite
Lipids [BR:
br08002
]
PK Polyketides
PK12 Flavonoids
PK1212 Chalcones and dihydrochalcones
C01484 Chalcone
BRITE hierarchy
Other DBs
CAS:
94-41-7
PubChem:
4654
ChEBI:
27618
48965
NIKKAJI:
J4.699J
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KCF data
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ATOM 16
1 C8y C 30.8494 -18.2585
2 C5a C 29.6287 -18.9654
3 C8x C 32.0701 -18.9244
4 C8x C 30.8961 -16.8568
5 C2b C 28.4080 -18.2995
6 O5a O 29.5938 -20.3670
7 C8x C 33.2849 -18.2177
8 C8x C 32.0176 -16.1267
9 C2b C 27.2283 -19.0062
10 C8x C 33.2499 -16.8100
11 C8y C 25.9960 -18.3461
12 C8x C 25.9726 -16.9445
13 C8x C 24.8044 -19.0587
14 C8x C 24.7461 -16.2727
15 C8x C 23.5662 -18.3988
16 C8x C 23.6011 -16.9911
BOND 17
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 1
5 2 6 2
6 3 7 1
7 4 8 2
8 5 9 2
9 7 10 2
10 9 11 1
11 11 12 2
12 11 13 1
13 12 14 1
14 13 15 2
15 14 16 2
16 8 10 1
17 15 16 1
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