COMPOUND: C20953
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Entry
C20953 Compound
Name
3-[(4R)-4-Hydroxycyclohexa-1,5-dien-1-yl]-2-oxopropanoate
Formula
C9H10O4
Exact mass
182.0579
Mol weight
182.1733
Structure
Mol file
KCF file
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Reaction
R10934
R11065
Pathway
map00998
Biosynthesis of various secondary metabolites - part 2
map01100
Metabolic pathways
map01110
Biosynthesis of secondary metabolites
Module
M00787
Bacilysin biosynthesis, prephenate => bacilysin
Enzyme
4.1.1.100
5.3.3.19
Other DBs
PubChem:
254741414
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KCF data
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ATOM 13
1 C2x C 19.9951 -14.0964
2 C2x C 19.9951 -15.4780
3 C2y C 21.1917 -16.1689
4 C2x C 22.3883 -15.4780
5 C1x C 22.3883 -14.0964
6 C1y C 21.1917 -13.4056
7 O1a O 21.1917 -12.0241
8 C1b C 21.1917 -17.5505
9 C5a C 19.9785 -18.2511
10 C6a C 19.9787 -19.6232
11 O6a O 21.1877 -20.3210
12 O6a O 18.7944 -20.3072
13 O5a O 18.7532 -17.5435
BOND 13
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 1
6 1 6 1
7 6 7 1 #Down
8 3 8 1
9 8 9 1
10 9 10 1
11 10 11 2
12 10 12 1
13 9 13 2
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