KEGG   COMPOUND: C11588
Entry
C11588                      Compound                               
Name
cis-3-(Carboxy-ethyl)-3,5-cyclo-hexadiene-1,2-diol;
cis-3-(2-Carboxy-ethyl)-3,5-cyclo-hexadiene-1,2-diol;
3-(cis-5,6-Dihydroxycyclohexa-1,3-dien-1-yl)propanoate
Formula
C9H12O4
Exact mass
184.0736
Mol weight
184.19
Structure
Reaction
R06782 R06784
Pathway
map00360  Phenylalanine metabolism
map01100  Metabolic pathways
map01120  Microbial metabolism in diverse environments
map01220  Degradation of aromatic compounds
Enzyme
1.3.1.87        1.14.12.19
Other DBs
PubChem: 13753
ChEBI: 10472
NIKKAJI: J2.775.230F
LinkDB
KCF data

ATOM        13
            1   C2x C    26.9964  -18.3458
            2   C2x C    26.9964  -19.7467
            3   C2x C    28.2135  -20.4436
            4   C1y C    29.4235  -19.7467
            5   C1y C    29.4235  -18.3458
            6   C2y C    28.2135  -17.6418
            7   O1a O    30.6310  -17.6428
            8   O1a O    30.6310  -20.4426
            9   C1b C    28.2152  -16.2410
            10  C1b C    29.4302  -15.5456
            11  C6a C    29.4319  -14.1447
            12  O6a O    30.6399  -13.4422
            13  O6a O    28.2187  -13.4392
BOND        13
            1     5   7 1 #Up
            2     1   2 1
            3     4   8 1 #Up
            4     2   3 2
            5     6   9 1
            6     3   4 1
            7     9  10 1
            8     4   5 1
            9    10  11 1
            10    5   6 1
            11   11  12 1
            12    6   1 2
            13   11  13 2

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