CHEBI:86632 - buddlenol B

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name buddlenol B
ChEBI ID CHEBI:86632
Definition A guaiacyl lignin that is found in Arabidopsis thaliana.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:91196
Supplier Information
Download Molfile XML SDF
Formula C31H36O11
Net Charge 0
Average Mass 584.612
Monoisotopic Mass 584.22576
InChI InChI=1S/C31H36O11/c1-37-23-12-18(7-8-22(23)35)28(36)27(16-34)41-31-25(39-3)13-19(14-26(31)40-4)29-21(15-33)20-10-17(6-5-9-32)11-24(38-2)30(20)42-29/h5-8,10-14,21,27-29,32-36H,9,15-16H2,1-4H3/b6-5+
InChIKey LCXGTSCVCJANHX-AATRIKPKSA-N
SMILES C1(=CC(=C(C(=C1)OC)OC(C(C=2C=CC(=C(C2)OC)O)O)CO)OC)C3C(C4=C(O3)C(=CC(=C4)/C=C/CO)OC)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 buddlenol B (CHEBI:86632) has functional parent coniferol (CHEBI:17745)
buddlenol B (CHEBI:86632) has functional parent guaiacylglycerol (CHEBI:53663)
buddlenol B (CHEBI:86632) has role plant metabolite (CHEBI:76924)
buddlenol B (CHEBI:86632) is a 1-benzofurans (CHEBI:38830)
buddlenol B (CHEBI:86632) is a dimethoxybenzene (CHEBI:51681)
buddlenol B (CHEBI:86632) is a guaiacyl lignin (CHEBI:64475)
buddlenol B (CHEBI:86632) is a phenols (CHEBI:33853)
buddlenol B (CHEBI:86632) is a primary alcohol (CHEBI:15734)
buddlenol B (CHEBI:86632) is a secondary alcohol (CHEBI:35681)
IUPAC Name
1-(4-hydroxy-3-methoxyphenyl)-2-(4-{3-(hydroxymethyl)-5-[(1E)-3-hydroxyprop-1-en-1-yl]-7-methoxy-2,3-dihydro-1-benzofuran-2-yl}-2,6-dimethoxyphenoxy)propane-1,3-diol
Synonym Source
G(8-O-4)S(8-5)G ChEBI
Registry Number Type Source
6554135 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
25457500 PubMed citation Europe PMC
Last Modified
14 July 2016