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CHEBI:80392 - (−)-vestitol

ChEBI IDCHEBI:80392
ChEBI Name(−)-vestitol
Stars
ASCII Name(-)-vestitol
DefinitionA methoxyisoflavan that is (R)-isoflavan substituted by a methoxy group at position 4' and hydroxy groups at positions 7 and 2' respectively.
Last Modified18 June 2015
DownloadsMolfile
FormulaC16H16O4
Net Charge0
Average Mass272.300
Monoisotopic Mass272.10486
SMILESCOc1ccc([C@@H]2COc3cc(O)ccc3C2)c(O)c1
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-/m0/s1
InChIKeyXRVFNNUXNVWYTI-NSHDSACASA-N
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)
(−)-vestitol (CHEBI:80392) has parent hydride (R)-isoflavan (CHEBI:36101)
(−)-vestitol (CHEBI:80392) has role plant metabolite (CHEBI:76924)
(−)-vestitol (CHEBI:80392) is a hydroxyisoflavans (CHEBI:76250)
(−)-vestitol (CHEBI:80392) is a methoxyisoflavan (CHEBI:77002)
IUPAC Name 
(3R)-3-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-ol
Manual XrefsDatabases
C00019387KNApSAcK
C16225KEGG COMPOUND
Registry NumbersSources
Reaxys:6068457Reaxys
CAS:35878-41-2KEGG COMPOUND
CAS:35878-41-2ChemIDplus