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.
Supplier Information
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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-2H-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