KEGG   COMPOUND: C20953
Entry
C20953                      Compound                               
Name
3-[(4R)-4-Hydroxycyclohexa-1,5-dien-1-yl]-2-oxopropanoate
Formula
C9H10O4
Exact mass
182.0579
Mol weight
182.1733
Structure
Reaction
R10934 R11065
Pathway
map00998  Biosynthesis of various antibiotics
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Module
M00787  Bacilysin biosynthesis, prephenate => bacilysin
Enzyme
4.1.1.100       5.3.3.19
Other DBs
PubChem: 254741414
LinkDB
KCF data

ATOM        13
            1   C2x C    19.9951  -14.0964
            2   C2x C    19.9951  -15.4780
            3   C2y C    21.1917  -16.1689
            4   C2x C    22.3883  -15.4780
            5   C1x C    22.3883  -14.0964
            6   C1y C    21.1917  -13.4056
            7   O1a O    21.1917  -12.0241
            8   C1b C    21.1917  -17.5505
            9   C5a C    19.9785  -18.2511
            10  C6a C    19.9787  -19.6232
            11  O6a O    21.1877  -20.3210
            12  O6a O    18.7944  -20.3072
            13  O5a O    18.7532  -17.5435
BOND        13
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     6   7 1 #Down
            8     3   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 2
            12   10  12 1
            13    9  13 2

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