KEGG   COMPOUND: C21085
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
Reaction
Pathway
map00998  Biosynthesis of various secondary metabolites - part 2
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Module
M00787  Bacilysin biosynthesis, prephenate => bacilysin
Enzyme
Other DBs
PubChem: 310920466
LinkDB
KCF data

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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