CHEBI:144069 - lobarin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name lobarin
ChEBI ID CHEBI:144069
Definition A member of the class of 2-benzofurans that is 3-butyl-3-hydroxy-2-benzofuran-1(3H)-one substituted by a 3-carboxy-4,6-dihydroxy-2-pentylphenoxy group and a methoxy group at positions 4 and 6, respectively. It is a metabolite isolated from the Sumatran lichen, Stereocaulon halei.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Mark Williams
Supplier Information
Download Molfile XML SDF
Formula C25H30O9
Net Charge 0
Average Mass 474.506
Monoisotopic Mass 474.18898
InChI InChI=1S/C25H30O9/c1-4-6-8-9-15-20(23(28)29)17(26)13-18(27)22(15)33-19-12-14(32-3)11-16-21(19)24(30)34-25(16,31)10-7-5-2/h11-13,26-27,31H,4-10H2,1-3H3,(H,28,29)
InChIKey BWRBGHBJBQFFAW-UHFFFAOYSA-N
SMILES CCCCC1(C=2C=C(C=C(C2C(=O)O1)OC=3C(=C(C(=CC3O)O)C(=O)O)CCCCC)OC)O
Metabolite of Species Details
Stereocaulon halei (NCBI:txid50938) See: PubMed
Roles Classification
Chemical Role(s): radical scavenger
A role played by a substance that can react readily with, and thereby eliminate, radicals.
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): lichen metabolite
Any metabolite that is produced during a metabolite reaction in lichens (composite organisms consisting of a fungus and a photosynthetic partner co-existing in a symbiotic relationship).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing lobarin (CHEBI:144069) has role lichen metabolite (CHEBI:78361)
lobarin (CHEBI:144069) has role radical scavenger (CHEBI:48578)
lobarin (CHEBI:144069) is a 2-benzofurans (CHEBI:38831)
lobarin (CHEBI:144069) is a aromatic ether (CHEBI:35618)
lobarin (CHEBI:144069) is a benzoic acids (CHEBI:22723)
lobarin (CHEBI:144069) is a phenols (CHEBI:33853)
IUPAC Name
3-[(1-butyl-1-hydroxy-6-methoxy-3-oxo-1,3-dihydro-2-benzofuran-4-yl)oxy]-4,6-dihydroxy-2-pentylbenzoic acid
Synonym Source
lobariol carboxylic acid SUBMITTER
Citation Waiting for Citations Type Source
23041521 PubMed citation Europe PMC
Last Modified
10 July 2019