KEGG   COMPOUND: C21086
Entry
C21086                      Compound                               
Name
(3E)-3-[(1R,5R,6S)-5-Hydroxy-7-oxabicyclo[4.1.0]heptan-2-ylidene]-2-oxopropanoate;
Epoxy-3E-H2HPP
Formula
C9H10O5
Exact mass
198.0528
Mol weight
198.17
Structure
Reaction
R11066 R11067
Pathway
map00998  Biosynthesis of various antibiotics
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Module
M00787  Bacilysin biosynthesis, prephenate => bacilysin
Other DBs
PubChem: 310920467
LinkDB
KCF data

ATOM        14
            1   C1x C    17.4404  -14.1143
            2   C1x C    17.4404  -15.5052
            3   C2y C    18.6226  -16.2006
            4   C1y C    19.8049  -15.5052
            5   C1y C    19.8049  -14.1143
            6   C1y C    18.6226  -13.4189
            7   C2b C    18.6226  -17.5914
            8   O1a O    18.6226  -12.0280
            9   C5a C    17.3709  -18.2868
            10  O5a O    16.1887  -17.5914
            11  C6a C    17.3709  -19.6777
            12  O6a O    16.1887  -20.3036
            13  O6a O    18.6226  -20.3731
            14  O2x O    21.1262  -14.8097
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     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
            14    5  14 1 #Down
            15    4  14 1 #Down

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