COMPOUND: C21085
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Entry
C21085 Compound
Name
3-[(1E,4R)-4-Hydroxycyclohex-2-en-1-ylidene]-2-oxopropanoate
Formula
C9H10O4
Exact mass
182.0579
Mol weight
182.1733
Structure
Mol file
KCF file
DB search
Reaction
R11065
R11066
Pathway
map00998
Biosynthesis of various secondary metabolites - part 2
map01100
Metabolic pathways
map01110
Biosynthesis of secondary metabolites
Module
M00787
Bacilysin biosynthesis, prephenate => bacilysin
Enzyme
5.3.3.19
Other DBs
PubChem:
310920466
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KCF data
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ATOM 13
1 C1x C 17.9905 -14.0704
2 C1x C 17.9905 -15.4704
3 C2y C 19.2029 -16.1704
4 C2x C 20.4154 -15.4704
5 C2x C 20.4154 -14.0704
6 C1y C 19.2029 -13.3703
7 C2b C 19.2029 -17.5702
8 O1a O 19.2029 -11.9705
9 C5a C 17.9737 -18.2802
10 O5a O 16.7696 -17.5850
11 C6a C 17.9737 -19.6802
12 O6a O 16.7780 -20.3705
13 O6a O 19.1944 -20.3851
BOND 13
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 1
7 3 7 2
8 6 8 1 #Up
9 7 9 1
10 9 10 2
11 9 11 1
12 11 12 1
13 11 13 2
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