KEGG   COMPOUND: C12622Help
Entry
C12622                      Compound                               

Name
cis-3-(3-Carboxyethenyl)-3,5-cyclohexadiene-1,2-diol;
(2E)-3-(cis-5,6-Dihydroxycyclohexa-1,3-dien-1-yl)prop-2-enoate
Formula
C9H10O4
Exact mass
182.0579
Mol weight
182.1733
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Phenylalanine metabolism
Microbial metabolism in diverse environments
Degradation of aromatic compounds
Module
M00545  
Trans-cinnamate degradation, trans-cinnamate => acetyl-CoA
Enzyme
1.3.1.87        1.14.12.19
Other DBs
PubChem: 
ChEBI: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        13
            1   C2y C    27.3564  -20.2006
            2   C2b C    27.3507  -18.8125
            3   C2x C    26.1452  -20.8976
            4   C1y C    28.5737  -20.8976
            5   C2b C    28.5561  -18.1095
            6   C2x C    26.1452  -22.3103
            7   C1y C    28.5737  -22.3103
            8   C6a C    28.5561  -16.7214
            9   C2x C    27.3564  -23.0190
            10  O6a O    29.7547  -16.0244
            11  O6a O    27.3390  -16.0303
            12  O1a O    29.7813  -20.1960
            13  O1a O    29.7955  -23.0103
BOND        13
            1     1   3 2
            2     1   4 1
            3     2   5 2
            4     3   6 1
            5     4   7 1
            6     5   8 1
            7     6   9 2
            8     8  10 1
            9     8  11 2
            10    7   9 1
            11    4  12 1 #Up
            12    1   2 1
            13    7  13 1 #Up

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