COMPOUND: C07350
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Entry
C07350 Compound
Name
Phlorisovalerophenone;
3-Methyl-1-(2,4,6-trihydroxyphenyl)butan-1-one
Formula
C11H14O4
Exact mass
210.0892
Mol weight
210.2265
Structure
Mol file
KCF file
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Reaction
R05331
Enzyme
2.3.1.156
Other DBs
PubChem:
9557
ChEBI:
15951
3DMET:
B01088
NIKKAJI:
J477.910J
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KCF data
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ATOM 15
1 C8y C 27.4559 -19.5069
2 C5a C 28.6683 -20.2037
3 C8y C 27.4559 -18.1070
4 C8y C 26.2436 -20.2097
5 C1b C 29.8806 -19.5069
6 O5a O 28.6741 -21.6036
7 C8x C 26.2436 -17.4044
8 O1a O 28.6683 -17.4044
9 C8x C 25.0313 -19.5127
10 O1a O 26.2494 -21.6094
11 C1c C 31.0929 -20.2037
12 C8y C 25.0313 -18.1070
13 C1a C 32.2993 -19.5069
14 C1a C 31.0929 -21.6036
15 O1a O 23.8130 -17.4102
BOND 15
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 3 8 1
8 4 9 2
9 4 10 1
10 5 11 1
11 7 12 2
12 11 13 1
13 11 14 1
14 12 15 1
15 9 12 1
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