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ChEBI
> Main
CHEBI:91209 - glycosmisic acid
Main
ChEBI Ontology
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ChEBI Name
glycosmisic acid
ChEBI ID
CHEBI:91209
Definition
A guaiacyl lignin that is found in
Arabidopsis thaliana
.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C20H20O7
Net Charge
0
Average Mass
372.369
Monoisotopic Mass
372.12090
InChI
InChI=1S/C20H20O7/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-
9,14,19,21-
22H,10H2,1-
2H3,(H,23,24)
/b6-
3+
InChIKey
FHYQIQMSODIFCP-ZZXKWVIFSA-N
SMILES
C=12OC(C(C1C=C(C=C2OC)/C=C/C(O)=O)CO)C3=CC(=C(C=C3)O)OC
Metabolite of Species
Details
Arabidopsis thaliana
(NCBI:txid3702)
Found in root
(BTO:0001188)
. See:
PubMed
Arabidopsis thaliana
(NCBI:txid3702)
Found in root
(BTO:0001188)
. See:
MetaboLights Study
Glycosmis citrifolia
(NCBI:txid650008)
See: Zhongguo yao xue za zhi (Zhongguo yao xue hui : 1989) 37, 14-17
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):
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (
Mus musculus
).
(via
guaiacyl lignin
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
glycosmisic acid (
CHEBI:91209
)
has functional parent
coniferol (
CHEBI:17745
)
glycosmisic acid (
CHEBI:91209
)
has functional parent
ferulic acid (
CHEBI:17620
)
glycosmisic acid (
CHEBI:91209
)
has role
plant metabolite (
CHEBI:76924
)
glycosmisic acid (
CHEBI:91209
)
is a
α,β-unsaturated monocarboxylic acid (
CHEBI:79020
)
glycosmisic acid (
CHEBI:91209
)
is a
1-benzofurans (
CHEBI:38830
)
glycosmisic acid (
CHEBI:91209
)
is a
guaiacols (
CHEBI:134251
)
glycosmisic acid (
CHEBI:91209
)
is a
guaiacyl lignin (
CHEBI:64475
)
glycosmisic acid (
CHEBI:91209
)
is a
primary alcohol (
CHEBI:15734
)
Incoming
glycosmisic acid 4'-sulfate (
CHEBI:91211
)
has functional parent
glycosmisic acid (
CHEBI:91209
)
glycosmisic acid sulfate (
CHEBI:91212
)
has functional parent
glycosmisic acid (
CHEBI:91209
)
(2
R
,3
S
)-glycosmisic acid (
CHEBI:132245
)
is a
glycosmisic acid (
CHEBI:91209
)
(2
S
,3
R
)-glycosmisic acid (
CHEBI:132257
)
is a
glycosmisic acid (
CHEBI:91209
)
IUPAC Name
(2
E
)-
3-
[2-
(4-
hydroxy-
3-
methoxyphenyl)-
3-
(hydroxymethyl)-
7-
methoxy-
2,3-
dihydro-
1-
benzofuran-
5-
yl]prop-
2-
enoic acid
Synonym
Source
G(8-5)FA
ChEBI
Registry Number
Type
Source
26424304
Reaxys Registry Number
Reaxys
Citations
Types
Sources
25457500
PubMed citation
Europe PMC
368656
Chinese Abstracts citation
Europe PMC
Last Modified
12 April 2017