COMPOUND: C21087
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Entry
C21087 Compound
Name
3-[(1R,2S,5R,6S)-5-Hydroxy-7-oxabicyclo[4.1.0]heptan-2-yl]-2-oxopropanoate;
Epoxy-4S-H4HPP
Formula
C9H12O5
Exact mass
200.0685
Mol weight
200.19
Structure
Mol file
KCF file
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Reaction
R11067
R11068
Pathway
map00998
Biosynthesis of various antibiotics
map01100
Metabolic pathways
map01110
Biosynthesis of secondary metabolites
Module
M00787
Bacilysin biosynthesis, prephenate => bacilysin
Other DBs
PubChem:
310920468
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KCF data
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ATOM 14
1 C1y C 17.9903 -14.0703
2 C1y C 17.9903 -15.4703
3 C1y C 19.2027 -16.1703
4 C1x C 20.4152 -15.4703
5 C1x C 20.4152 -14.0703
6 C1y C 19.2027 -13.3703
7 O1a O 19.2027 -11.9705
8 O2x O 16.7778 -14.7703
9 C1b C 19.2027 -17.5702
10 C5a C 17.9735 -18.2801
11 O5a O 16.7694 -17.5850
12 C6a C 17.9737 -19.6703
13 O6a O 19.1987 -20.3774
14 O6a O 16.7737 -20.3634
BOND 15
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 6 7 1 #Down
8 1 8 1 #Up
9 2 8 1 #Up
10 3 9 1 #Up
11 9 10 1
12 10 11 2
13 10 12 1
14 12 13 2
15 12 14 1
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