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CHEBI:174582 - Isovestitol

Default Structure
ChEBI IDCHEBI:174582
ChEBI NameIsovestitol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H16O4
Net Charge0
Average Mass272.300
Monoisotopic Mass272.10486
SMILESCOc1cc(O)ccc1C1COc2cc(O)ccc2C1
InChIInChI=1S/C16H16O4/c1-19-16-8-13(18)4-5-14(16)11-6-10-2-3-12(17)7-15(10)20-9-11/h2-5,7-8,11,17-18H,6,9H2,1H3
InChIKeyFFDNYMAHNWBKCH-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Isovestitol (CHEBI:174582) is a ether (CHEBI:25698)
Isovestitol (CHEBI:174582) is a flavonoids (CHEBI:72544)
IUPAC Name 
3-(4-hydroxy-2-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
Manual XrefsDatabases
514489ChemSpider
HMDB0030526HMDB
LMPK12080028LIPID MAPS
Registry NumbersSources
CAS:63631-42-5ChemIDplus