KEGG   COMPOUND: C12088
Entry
C12088                      Compound                               
Name
4-Hydroxycinnamoylmethane;
4-Hydroxybenzalacetone;
p-Hydroxybenzalacetone;
4-(p-Hydroxyphenyl)-3-buten-2-one
Formula
C10H10O2
Exact mass
162.0681
Mol weight
162.1852
Structure
Reaction
R10234 R13079
Pathway
map00946  Degradation of flavonoids
Enzyme
2.3.1.212
Other DBs
CAS: 3160-35-8
PubChem: 14237
ChEBI: 68636
PDB-CCD: 8MK[PDBj]
NIKKAJI: J31.104I
LinkDB
KCF data

ATOM        12
            1   C8x C    27.3700  -20.9300
            2   C8y C    27.3700  -19.5300
            3   C8x C    26.1800  -18.8300
            4   C8x C    24.9900  -19.5300
            5   C8y C    24.9900  -20.9300
            6   C8x C    26.1800  -21.6300
            7   O1a O    23.7300  -21.6300
            8   C2b C    28.6300  -18.8300
            9   C2b C    29.8200  -19.5300
            10  C5a C    31.0100  -18.8300
            11  C1a C    32.2700  -19.5300
            12  O5a O    31.0100  -17.4300
BOND        12
            1     6   1 1
            2     5   7 1
            3     1   2 2
            4     2   8 1
            5     2   3 1
            6     8   9 2
            7     3   4 2
            8     9  10 1
            9     4   5 1
            10   10  11 1
            11    5   6 2
            12   10  12 2

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