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CHEBI:72648 - (3R)-7,2'-dihydroxy-4'-methoxyisoflavanol 4-oxonium cation

ChEBI IDCHEBI:72648
ChEBI Name(3R)-7,2'-dihydroxy-4'-methoxyisoflavanol 4-oxonium cation
Stars
ASCII Name(3R)-7,2'-dihydroxy-4'-methoxyisoflavanol 4-oxonium cation
DefinitionAn organic cation that is the conjugate acid of (3R)-7,2'-dihydroxy-4'-methoxyisoflavanol, obtained by selective protonation of the 4-hydroxy group.
Last Modified10 January 2019
SubmitterSteve
DownloadsMolfile
FormulaC16H17O5
Net Charge+1
Average Mass289.307
Monoisotopic Mass289.10705
SMILESCOc1ccc([C@@H]2COc3cc(O)ccc3C2[OH2+])c(O)c1
InChIInChI=1S/C16H16O5/c1-20-10-3-5-11(14(18)7-10)13-8-21-15-6-9(17)2-4-12(15)16(13)19/h2-7,13,16-19H,8H2,1H3/p+1/t13-,16?/m0/s1
InChIKeyYZBBUYKPTHDZHF-KNVGNIICSA-O
ChEBI Ontology
Outgoing Relation(s)
(3R)-7,2'-dihydroxy-4'-methoxyisoflavanol 4-oxonium cation (CHEBI:72648) is a organic cation (CHEBI:25697)
(3R)-7,2'-dihydroxy-4'-methoxyisoflavanol 4-oxonium cation (CHEBI:72648) is conjugate acid of (3R)-7,2'-dihydroxy-4'-methoxyisoflavanol (CHEBI:71335)
Incoming Relation(s)
(3R)-7,2'-dihydroxy-4'-methoxyisoflavanol (CHEBI:71335) is conjugate base of (3R)-7,2'-dihydroxy-4'-methoxyisoflavanol 4-oxonium cation (CHEBI:72648)
IUPAC Name 
[(3R)-7-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromen-4-yl]oxonium
Synonym  Source
7,2'-dihydroxy-4'-methoxy-isoflavanol carbocation intermediateChEBI