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CHEBI:3828 - (R)-columbianetin

ChEBI IDCHEBI:3828
ChEBI Name(R)-columbianetin
Stars
ASCII Name(R)-columbianetin
DefinitionThe (R)-(−)-enantiomer of columbianetin.
Last Modified28 July 2014
DownloadsMolfile
FormulaC14H14O4
Net Charge0
Average Mass246.262
Monoisotopic Mass246.08921
SMILES[H][C@]1(C(C)(C)O)Cc2c(ccc3ccc(=O)oc23)O1
InChIInChI=1S/C14H14O4/c1-14(2,16)11-7-9-10(17-11)5-3-8-4-6-12(15)18-13(8)9/h3-6,11,16H,7H2,1-2H3/t11-/m1/s1
InChIKeyYRAQEMCYCSSHJG-LLVKDONJSA-N
ChEBI Ontology
Outgoing Relation(s)
(R)-columbianetin (CHEBI:3828) is a columbianetin (CHEBI:59948)
(R)-columbianetin (CHEBI:3828) is enantiomer of (S)-columbianetin (CHEBI:437678)
Incoming Relation(s)
(S)-columbianetin (CHEBI:437678) is enantiomer of (R)-columbianetin (CHEBI:3828)
IUPAC Name 
(8R)-8-(2-hydroxypropan-2-yl)-8,9-dihydro-2H-furo[2,3-h]chromen-2-one
Synonyms  Source
(−)-columbianetinChEBI
(8R)-8,9-dihydro-8-(1-hydroxy-1-methylethyl)-2H-furo[2,3-h]1-benzopyran-2-oneChEBI
Manual XrefsDatabases
C09210KEGG COMPOUND
C00002459KNApSAcK
Registry NumbersSources
Reaxys:5031046Reaxys
CAS:52842-47-4KEGG COMPOUND