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CHEBI:67388 - pterolinus F

ChEBI IDCHEBI:67388
ChEBI Namepterolinus F
Stars
DefinitionA benzoate ester that is methyl 2,5-dihydroxybenzoate substituted by a prop-2-en-1-yl group at position 4 which in turn is substituted by a 3-hydroxy-4-methoxyphenyl substituent at position 1. It has been isolated from Pterocarpus santalinus.
Last Modified5 November 2013
DownloadsMolfile
FormulaC18H18O6
Net Charge0
Average Mass330.336
Monoisotopic Mass330.11034
SMILESC=C[C@@H](c1ccc(OC)c(O)c1)c1cc(O)c(C(=O)OC)cc1O
InChIInChI=1S/C18H18O6/c1-4-11(10-5-6-17(23-2)16(21)7-10)12-8-15(20)13(9-14(12)19)18(22)24-3/h4-9,11,19-21H,1H2,2-3H3/t11-/m0/s1
InChIKeyOROYBJUZDRBHII-NSHDSACASA-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 Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
pterolinus F (CHEBI:67388) has role metabolite (CHEBI:25212)
pterolinus F (CHEBI:67388) has role plant metabolite (CHEBI:76924)
pterolinus F (CHEBI:67388) is a aromatic ether (CHEBI:35618)
pterolinus F (CHEBI:67388) is a benzoate ester (CHEBI:36054)
pterolinus F (CHEBI:67388) is a hydroquinones (CHEBI:24646)
IUPAC Name 
methyl 2,5-dihydroxy-4-[(1S)-1-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-yl]benzoate
Registry NumbersSources
Reaxys:21548612Reaxys
Citations