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
Pathway
map00998  Biosynthesis of various secondary metabolites - part 2
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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