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> Main
CHEBI:91201 - guaiacylglycerol β-scopoletinyl ether
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ChEBI Name
guaiacylglycerol β-scopoletinyl ether
ChEBI ID
CHEBI:91201
ChEBI ASCII Name
guaiacylglycerol beta-scopoletinyl ether
Definition
A guaiacyl lignin that is scopoletin in which the phenolic hydrogen is replaced by a guaiacylglycerol group. It is found in
Arabidopsis thaliana
.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C20H20O8
Net Charge
0
Average Mass
388.369
Monoisotopic Mass
388.11582
InChI
InChI=1S/C20H20O8/c1-
25-
15-
8-
12(3-
5-
13(15)
22)
20(24)
18(10-
21)
27-
17-
9-
14-
11(7-
16(17)
26-
2)
4-
6-
19(23)
28-
14/h3-
9,18,20-
22,24H,10H2,1-
2H3
InChIKey
FVMVDYHTVNKQIF-UHFFFAOYSA-N
SMILES
C=1C=2C=C(C(=CC2OC(C1)=O)OC(CO)C(O)C=3C=C(C(=CC3)O)OC)OC
Metabolite of Species
Details
Arabidopsis thaliana
(NCBI:txid3702)
Found in root
(BTO:0001188)
. See:
MetaboLights Study
Arabidopsis thaliana
(NCBI:txid3702)
Found in root
(BTO:0001188)
. See:
PubMed
Roles Classification
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
guaiacylglycerol β-scopoletinyl ether (
CHEBI:91201
)
has functional parent
guaiacylglycerol (
CHEBI:53663
)
guaiacylglycerol β-scopoletinyl ether (
CHEBI:91201
)
has functional parent
scopoletin (
CHEBI:17488
)
guaiacylglycerol β-scopoletinyl ether (
CHEBI:91201
)
has role
plant metabolite (
CHEBI:76924
)
guaiacylglycerol β-scopoletinyl ether (
CHEBI:91201
)
is a
coumarins (
CHEBI:23403
)
guaiacylglycerol β-scopoletinyl ether (
CHEBI:91201
)
is a
guaiacyl lignin (
CHEBI:64475
)
guaiacylglycerol β-scopoletinyl ether (
CHEBI:91201
)
is a
primary alcohol (
CHEBI:15734
)
guaiacylglycerol β-scopoletinyl ether (
CHEBI:91201
)
is a
secondary alcohol (
CHEBI:35681
)
IUPAC Name
7-
{[1,3-
dihydroxy-
1-
(4-
hydroxy-
3-
methoxyphenyl)propan-
2-
yl]oxy}-
6-
methoxy-
2
H
-
1-
benzopyran-
2-
one
Synonyms
Sources
7-{[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-6-methoxycoumarin
ChEBI
G(8-O-4)Scopoletin
ChEBI
Registry Number
Type
Source
28063973
Reaxys Registry Number
Reaxys
Last Modified
07 April 2017