COMPOUND: C17748
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Entry
C17748 Compound
Name
1-(3,4-Dihydroxyphenyl)-5-hydroxy-3-decanone
Formula
C16H24O4
Exact mass
280.1675
Mol weight
280.3594
Structure
Mol file
KCF file
DB search
Reaction
R08799
R08802
R08804
Pathway
map00945
Stilbenoid, diarylheptanoid and gingerol biosynthesis
map01110
Biosynthesis of secondary metabolites
Enzyme
2.1.1.-
Other DBs
PubChem:
96024075
ChEBI:
81313
NIKKAJI:
J431.374G
LinkDB
All DBs
KCF data
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ATOM 20
1 C8y C 25.4100 -28.7700
2 C8y C 25.4100 -30.1700
3 C8x C 26.6000 -30.8700
4 C8x C 27.7900 -30.1700
5 C8y C 27.7900 -28.7700
6 C8x C 26.6000 -28.0700
7 O1a O 24.2200 -30.8700
8 C1b C 29.0500 -28.0700
9 C1b C 30.2400 -28.7700
10 C5a C 31.5000 -28.0700
11 C1b C 32.6900 -28.7700
12 C1c C 33.8800 -28.0700
13 C1b C 35.1400 -28.7700
14 C1b C 36.3300 -28.0700
15 C1b C 37.5200 -28.7700
16 C1b C 38.7800 -28.0700
17 C1a C 39.9700 -28.7700
18 O5a O 31.5000 -26.6700
19 O1a O 33.8800 -26.6700
20 O1a O 24.1947 -28.0749
BOND 20
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 2 7 1
8 5 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 13 14 1
15 14 15 1
16 15 16 1
17 16 17 1
18 10 18 2
19 12 19 1
20 1 20 1
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