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CHEBI:9971 - (+)-vestitol

ChEBI IDCHEBI:9971
ChEBI Name(+)-vestitol
Stars
DefinitionThe S-enantiomer of vestitol.
Last Modified28 July 2014
DownloadsMolfile
FormulaC16H16O4
Net Charge0
Average Mass272.300
Monoisotopic Mass272.10486
SMILES[H][C@]1(c2ccc(OC)cc2O)COc2cc(O)ccc2C1
InChIInChI=1S/C16H16O4/c1-19-13-4-5-14(15(18)8-13)11-6-10-2-3-12(17)7-16(10)20-9-11/h2-5,7-8,11,17-18H,6,9H2,1H3/t11-/m1/s1
InChIKeyXRVFNNUXNVWYTI-LLVKDONJSA-N
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.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
phytoalexin  A toxin made by a plant that acts against an organism attacking it.
Application:
anti-inflammatory agent  Any compound that has anti-inflammatory effects.
ChEBI Ontology
Outgoing Relation(s)
(+)-vestitol (CHEBI:9971) has role plant metabolite (CHEBI:76924)
(+)-vestitol (CHEBI:9971) is a vestitol (CHEBI:69088)
IUPAC Name 
(3S)-3-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
Synonym  Source
(3S)-vestitolLIPID MAPS
Manual XrefsDatabases
C10540KEGG COMPOUND
LMPK12080026LIPID MAPS
C00002583KNApSAcK
Registry NumbersSources
Reaxys:5093419Reaxys
CAS:20879-05-4KEGG COMPOUND
CAS:20879-05-4ChemIDplus