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CHEBI:142868 - (3R,4R)-2'-hydroxy-4',5'-methylenedioxyisoflavan-4,7-diol

ChEBI IDCHEBI:142868
ChEBI Name(3R,4R)-2'-hydroxy-4',5'-methylenedioxyisoflavan-4,7-diol
Stars
DefinitionA member of the class of hydroxyisoflavans that is isoflavan-4,7-diol which is substituted by a hydroxy group at the 2' position and by a methylenedioxy group at the 4'-5' positions (the R,R stereoisomer).
Last Modified15 November 2019
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC16H14O6
Net Charge0
Average Mass302.282
Monoisotopic Mass302.07904
SMILESOc1ccc2c(c1)OC[C@@H](c1cc3c(cc1O)OCO3)[C@H]2O
InChIInChI=1S/C16H14O6/c17-8-1-2-9-13(3-8)20-6-11(16(9)19)10-4-14-15(5-12(10)18)22-7-21-14/h1-5,11,16-19H,6-7H2/t11-,16-/m0/s1
InChIKeyVGLBFRZJJZBAST-ZBEGNZNMSA-N
ChEBI Ontology
Outgoing Relation(s)
(3R,4R)-2'-hydroxy-4',5'-methylenedioxyisoflavan-4,7-diol (CHEBI:142868) is a benzodioxoles (CHEBI:38298)
(3R,4R)-2'-hydroxy-4',5'-methylenedioxyisoflavan-4,7-diol (CHEBI:142868) is a hydroxyisoflavans (CHEBI:76250)
IUPAC Name 
(3R,4R)-3-(6-hydroxy-1,3-benzodioxol-5-yl)chromane-4,7-diol
Synonyms  Source
(3R,4R)-3-(6-hydroxy-1,3-benzodioxol-5-yl)-3,4-dihydro-2H-chromene-4,7-diolChEBI
(R,R)-3-(6-hydroxy-1,3-benzodioxol-5-yl)chromane-4,7-diolChEBI
(3R,4R)-3-(2-hydroxy-4,5-methylenedioxyphenyl)chromane-4,7-diolChEBI
(3R,4R)-2'-hydroxy-4',5'-methylenedioxyisoflavan-4,7-diolChEBI
(3R,4R)-3-(6-hydroxy-1,3-benzodioxol-5-yl)chromane-4,7-diolChEBI
(3R)-3-(6-hydroxy-2H-1,3-benzodioxol-5-yl)-3,4-dihydro-2H-1-benzopyran-4,7-diolMetaCyc
UniProt Name  Source
(3R,4R)-3-(6-hydroxy-1,3-benzodioxol-5-yl)-3,4-dihydro-2H-chromene-4,7-diolUniProt
Manual XrefsDatabases
CPD-14741MetaCyc
Citations