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CHEBI:67383 - pterolinus C

ChEBI IDCHEBI:67383
ChEBI Namepterolinus C
Stars
DefinitionA member of the class of 1-benzofurans that is 2,3-dihydro-1-benzofuran substituted by methoxy groups at positions 5 and 6, a methyl group at position 3 and a 3-hydroxy-4-methoxyphenyl group at position 2. It is isolated from Pterocarpus santalinus.
Last Modified9 January 2014
DownloadsMolfile
FormulaC18H20O5
Net Charge0
Average Mass316.353
Monoisotopic Mass316.13107
SMILESCOc1ccc([C@H]2Oc3cc(OC)c(OC)cc3[C@@H]2C)cc1O
InChIInChI=1S/C18H20O5/c1-10-12-8-16(21-3)17(22-4)9-15(12)23-18(10)11-5-6-14(20-2)13(19)7-11/h5-10,18-19H,1-4H3/t10-,18-/m0/s1
InChIKeyXZHWXGQZQLTSGY-YPMLDQLKSA-N
Species of MetaboliteComponentSourceComments
Pterocarpus santalinus (ncbitaxon:1071199) heartwood (PO:0004512) PubMed (21488654) Dichloromethane soluble portion of MeOH extract of powdered heartwood
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
pterolinus C (CHEBI:67383) has role plant metabolite (CHEBI:76924)
pterolinus C (CHEBI:67383) is a 1-benzofurans (CHEBI:38830)
pterolinus C (CHEBI:67383) is a aromatic ether (CHEBI:35618)
pterolinus C (CHEBI:67383) is a phenols (CHEBI:33853)
IUPAC Name 
5-[(2S,3S)-5,6-dimethoxy-3-methyl-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenol
Registry NumbersSources
Reaxys:21548609Reaxys
Citations