KEGG   COMPOUND: C12621Help
Entry
C12621                      Compound                               

Name
trans-3-Hydroxycinnamate;
(2E)-3-(3-Hydroxyphenyl)prop-2-enoate
Formula
C9H8O3
Exact mass
164.0473
Mol weight
164.158
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
Other DBs
CAS: 14755-02-3
PubChem: 583011
ChEBI: 32357
ChEMBL: CHEMBL98521
3DMET: B04535
NIKKAJI: J1.638A
LinkDB All DBs
KCF data Show

ATOM        12
            1   C8y C    29.1607  -17.9718
            2   C8x C    29.2026  -19.3690
            3   C8x C    30.4558  -17.2892
            4   C8x C    30.4123  -20.0978
            5   C8y C    31.6654  -18.0181
            6   C8x C    31.6443  -19.4261
            7   O1a O    32.8953  -17.3330
            8   C2b C    27.9776  -17.2900
            9   C2b C    26.7651  -17.9900
            10  C6a C    25.5527  -17.2900
            11  O6a O    24.3403  -17.9900
            12  O6a O    25.5527  -15.8900
BOND        12
            1     1   2 2
            2     1   3 1
            3     2   4 1
            4     3   5 2
            5     4   6 2
            6     5   6 1
            7     5   7 1
            8     1   8 1
            9     8   9 2
            10    9  10 1
            11   10  11 1
            12   10  12 2

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