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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:132251 - (+)-DCA-CL
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ChEBI Ontology
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ChEBI Name
(+)-DCA-CL
ChEBI ID
CHEBI:132251
Definition
A member of the class of 1-benzofurans that is a lignan obtained by cyclodimerisation of ferulic acid.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C20H18O7
Net Charge
0
Average Mass
370.353
Monoisotopic Mass
370.10525
InChI
InChI=1S/C20H18O7/c1-
25-
16-
9-
12(4-
5-
15(16)
22)
19-
14(10-
21)
13-
7-
11(3-
6-
18(23)
24)
8-
17(26-
2)
20(13)
27-
19/h3-
10,14,19,22H,1-
2H3,(H,23,24)
/b6-
3+/t14-
,19+/m0/s1
InChIKey
WJCNWNKOLJMKJE-ZMOFONSMSA-N
SMILES
C1=C(C=C2C(=C1OC)O[C@@H]([C@H]2C=O)C3=CC=C(C(=C3)OC)O)/C=C/C(O)=O
Metabolite of Species
Details
Sphingobium
sp.
(NCBI:txid627192)
of strain SYK-6 See:
PubMed
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
Biological Role
(s):
bacterial xenobiotic metabolite
Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
(+)-DCA-CL (
CHEBI:132251
)
has functional parent
ferulic acid (
CHEBI:17620
)
(+)-DCA-CL (
CHEBI:132251
)
has role
bacterial xenobiotic metabolite (
CHEBI:76976
)
(+)-DCA-CL (
CHEBI:132251
)
is a
α,β-unsaturated monocarboxylic acid (
CHEBI:79020
)
(+)-DCA-CL (
CHEBI:132251
)
is a
1-benzofurans (
CHEBI:38830
)
(+)-DCA-CL (
CHEBI:132251
)
is a
aldehyde (
CHEBI:17478
)
(+)-DCA-CL (
CHEBI:132251
)
is a
guaiacols (
CHEBI:134251
)
(+)-DCA-CL (
CHEBI:132251
)
is a
lignan (
CHEBI:25036
)
(+)-DCA-CL (
CHEBI:132251
)
is conjugate acid of
(+)-DCA-CL(1−) (
CHEBI:131936
)
(+)-DCA-CL (
CHEBI:132251
)
is enantiomer of
(−)-DCA-CL (
CHEBI:132247
)
Incoming
(+)-DCA-CL(1−) (
CHEBI:131936
)
is conjugate base of
(+)-DCA-CL (
CHEBI:132251
)
(−)-DCA-CL (
CHEBI:132247
)
is enantiomer of
(+)-DCA-CL (
CHEBI:132251
)
IUPAC Name
(2
E
)-
3-
[(2
S
,3
S
)-
3-
formyl-
2-
(4-
hydroxy-
3-
methoxyphenyl)-
7-
methoxy-
2,3-
dihydro-
1-
benzofuran-
5-
yl]prop-
2-
enoic acid
Synonym
Source
(+)-dehydrodiconiferyl acid aldehyde
ChEBI
Manual Xref
Database
CPD-18964
MetaCyc
View more database links
Citation
Type
Source
26362985
PubMed citation
Europe PMC
Last Modified
12 April 2017