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CHEBI:27686 - 3-deoxyleucocyanidin

ChEBI IDCHEBI:27686
ChEBI Name3-deoxyleucocyanidin
Stars
DefinitionA leucoanthocyanidin that is the 3-deoxy derivative of (2R,3S,4S)-leucocyanidin.
Secondary ChEBI IDsCHEBI:1497, CHEBI:20010
Last Modified28 July 2014
DownloadsMolfile
FormulaC15H14O6
Net Charge0
Average Mass290.271
Monoisotopic Mass290.07904
SMILESOc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)CC2O
InChIInChI=1S/C15H14O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,12-13,16-20H,6H2/t12?,13-/m0/s1
InChIKeyFSYDWKPCKNCRDI-ABLWVSNPSA-N
Wikipedia
ChEBI Ontology
Outgoing Relation(s)
3-deoxyleucocyanidin (CHEBI:27686) has functional parent (2R,3S,4S)-leucocyanidin (CHEBI:11412)
3-deoxyleucocyanidin (CHEBI:27686) is a leucoanthocyanidin (CHEBI:60835)
3-deoxyleucocyanidin (CHEBI:27686) is a pentahydroxyflavan (CHEBI:72584)
IUPAC Name 
(2S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-4,5,7-triol
Synonyms  Source
3-DeoxyleucocyanidinKEGG COMPOUND
LuteoforolKEGG COMPOUND
(2S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4,5,7-triolChEBI
(2S)-luteoforolChEBI
3-DeoxyleucocyanidinKEGG COMPOUND
Manual XrefsDatabases
C05907KEGG COMPOUND
3-DeoxyleucocyanidinWikipedia
HMDB0041310HMDB
C00008977KNApSAcK
Registry NumbersSources
Reaxys:6738837Reaxys
CAS:24897-98-1KEGG COMPOUND
CAS:24897-98-1ChemIDplus
Citations