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CHEBI:27679 - betagarin

ChEBI IDCHEBI:27679
ChEBI Namebetagarin
Stars
DefinitionAn extended flavonoid that is 6,7-methylenedioxyflavanone substituted by methoxy groups at positions 5 and 2' respectively.
Secondary ChEBI IDsCHEBI:3072, CHEBI:22857
Last Modified28 July 2014
DownloadsMolfile
FormulaC18H16O6
Net Charge0
Average Mass328.320
Monoisotopic Mass328.09469
SMILESCOc1ccccc1[C@@H]1CC(=O)c2c(cc3c(c2OC)OCO3)O1
InChIInChI=1S/C18H16O6/c1-20-12-6-4-3-5-10(12)13-7-11(19)16-14(24-13)8-15-17(18(16)21-2)23-9-22-15/h3-6,8,13H,7,9H2,1-2H3/t13-/m0/s1
InChIKeyIHPVFYLOGNNZLA-ZDUSSCGKSA-N
ChEBI Ontology
Outgoing Relation(s)
betagarin (CHEBI:27679) is a dimethoxyflavanone (CHEBI:38743)
betagarin (CHEBI:27679) is a extended flavonoid (CHEBI:71037)
betagarin (CHEBI:27679) is a organic heterotricyclic compound (CHEBI:26979)
IUPAC Name 
(6S)-9-methoxy-6-(2-methoxyphenyl)-6,7-dihydro-8H-[1,3]dioxolo[4,5-g]chromen-8-one
Synonyms  Source
BetagarinKEGG COMPOUND
5,2'-Dimethoxy-6,7-methylenedioxyflavanoneKEGG COMPOUND
Manual XrefsDatabases
C09479KEGG COMPOUND
LMPK12140599LIPID MAPS
HMDB0030727HMDB
C00000942KNApSAcK
Registry NumbersSources
CAS:60132-69-6KEGG COMPOUND