CHEBI:91200 - ficusequilignan A

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ChEBI Name ficusequilignan A
ChEBI ID CHEBI:91200
Definition A guaiacyl lignin that is medioresinol in which one of the phenolic hydrogens 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 ChemicalBook:CB21387988, ZINC000006090922
Download Molfile XML SDF
Formula C31H36O11
Net Charge 0
Average Mass 584.612
Monoisotopic Mass 584.22576
InChI InChI=1S/C31H36O11/c1-36-23-9-16(5-7-21(23)33)28(34)27(13-32)42-22-8-6-17(10-24(22)37-2)30-19-14-41-31(20(19)15-40-30)18-11-25(38-3)29(35)26(12-18)39-4/h5-12,19-20,27-28,30-35H,13-15H2,1-4H3
InChIKey PFZFCRCFYYFTPE-UHFFFAOYSA-N
SMILES C1OC(C2COC(C12)C3=CC(=C(C(=C3)OC)O)OC)C4=CC=C(C(=C4)OC)OC(C(C=5C=C(C(=CC5)O)OC)O)CO
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 ficusequilignan A (CHEBI:91200) has functional parent guaiacylglycerol (CHEBI:53663)
ficusequilignan A (CHEBI:91200) has role plant metabolite (CHEBI:76924)
ficusequilignan A (CHEBI:91200) is a dimethoxybenzene (CHEBI:51681)
ficusequilignan A (CHEBI:91200) is a furofuran (CHEBI:47790)
ficusequilignan A (CHEBI:91200) is a guaiacyl lignin (CHEBI:64475)
ficusequilignan A (CHEBI:91200) is a polyphenol (CHEBI:26195)
ficusequilignan A (CHEBI:91200) is a primary alcohol (CHEBI:15734)
ficusequilignan A (CHEBI:91200) is a secondary alcohol (CHEBI:35681)
IUPAC Name
2-{4-[4-(4-hydroxy-3,5-dimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-2-methoxyphenoxy}-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol
Synonyms Sources
G(8-O-4)G(8-8)S ChEBI
guaiacylglycerol β-medioresinol ether ChEBI
Registry Number Type Source
8814167 Reaxys Registry Number Reaxys
Citation Type Source
25457500 PubMed citation Europe PMC
Last Modified
14 July 2016