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 search
Reaction
Pathway
map00360  Phenylalanine metabolism
map01120  Microbial metabolism in diverse environments
map01220  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: 583012
ChEBI: 61462
3DMET: B04536
NIKKAJI: J2.783.722K
LinkDB All DBs
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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