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
198.1727
Structure
Reaction
Pathway
map00998  Biosynthesis of various secondary metabolites - part 2
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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