CHEBI:9971 - (+)-vestitol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (+)-vestitol
ChEBI ID CHEBI:9971
Definition The S-enantiomer of vestitol.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C16H16O4
Net Charge 0
Average Mass 272.29580
Monoisotopic Mass 272.105
InChI InChI=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
InChIKey XRVFNNUXNVWYTI-LLVKDONJSA-N
SMILES COc1ccc([C@H]2COc3cc(O)ccc3C2)c(O)c1
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.
(via vestitol )
phytoalexin
A toxin made by a plant that acts against an organism attacking it.
(via vestitol )
Application(s): anti-inflammatory agent
Any compound that has anti-inflammatory effects.
(via vestitol )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (+)-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)-vestitol LIPID MAPS
Manual Xrefs Databases
C00002583 KNApSAcK
C10540 KEGG COMPOUND
LMPK12080026 LIPID MAPS
View more database links
Registry Numbers Types Sources
20879-05-4 CAS Registry Number KEGG COMPOUND
20879-05-4 CAS Registry Number ChemIDplus
5093419 Reaxys Registry Number Reaxys
Last Modified
28 July 2014