CHEBI:86635 - buddlenol C

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ChEBI Name buddlenol C
ChEBI ID CHEBI:86635
Definition A guaiacyl lignin that is syringaresinol 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.
Secondary ChEBI IDs CHEBI:91199
Supplier Information
Download Molfile XML SDF
Formula C32H38O12
Net Charge 0
Average Mass 614.638
Monoisotopic Mass 614.23633
InChI InChI=1S/C32H38O12/c1-37-22-8-16(6-7-21(22)34)28(35)27(13-33)44-32-25(40-4)11-18(12-26(32)41-5)31-20-15-42-30(19(20)14-43-31)17-9-23(38-2)29(36)24(10-17)39-3/h6-12,19-20,27-28,30-31,33-36H,13-15H2,1-5H3
InChIKey FITCDKVKQIBVRK-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)OC
Metabolite of Species Details
Illicium simonsii (NCBI:txid1202800) Found in leaf (BTO:0000713). See: PubMed
Illicium simonsii (NCBI:txid1202800) Found in stem (BTO:0001300). See: PubMed
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 buddlenol C (CHEBI:86635) has functional parent guaiacylglycerol (CHEBI:53663)
buddlenol C (CHEBI:86635) has functional parent syringaresinol (CHEBI:49211)
buddlenol C (CHEBI:86635) has role plant metabolite (CHEBI:76924)
buddlenol C (CHEBI:86635) is a dimethoxybenzene (CHEBI:51681)
buddlenol C (CHEBI:86635) is a furofuran (CHEBI:47790)
buddlenol C (CHEBI:86635) is a guaiacyl lignin (CHEBI:64475)
buddlenol C (CHEBI:86635) is a polyphenol (CHEBI:26195)
buddlenol C (CHEBI:86635) is a primary alcohol (CHEBI:15734)
buddlenol C (CHEBI:86635) 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]-2,6-dimethoxyphenoxy}-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol
Synonyms Sources
G(8-O-4)S(8-8)S ChEBI
guaiacylglycerol β-syringaresinol ether ChEBI
Manual Xref Database
C00038659 KNApSAcK
View more database links
Registry Numbers Types Sources
6554468 Reaxys Registry Number Reaxys
97465-73-1 CAS Registry Number KNApSAcK
Citations Waiting for Citations Types Sources
21837972 PubMed citation Europe PMC
25457500 PubMed citation Europe PMC
Last Modified
14 July 2016