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CHEBI:6417 - (2R,3S,4S)-leucodelphinidin

ChEBI IDCHEBI:6417
ChEBI Name(2R,3S,4S)-leucodelphinidin
Stars
ASCII Name(2R,3S,4S)-leucodelphinidin
DefinitionA flavan-3,3',4,4',5,5',7-heptol that has (2R,3S,4S) configuration.
Last Modified28 July 2014
DownloadsMolfile
FormulaC15H14O8
Net Charge0
Average Mass322.269
Monoisotopic Mass322.06887
SMILESOc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](O)[C@H]2O
InChIInChI=1S/C15H14O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,13-22H/t13-,14-,15+/m0/s1
InChIKeyZEACOKJOQLAYTD-SOUVJXGZSA-N
Wikipedia
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
(2R,3S,4S)-leucodelphinidin (CHEBI:6417) has functional parent (+)-gallocatechin (CHEBI:31018)
(2R,3S,4S)-leucodelphinidin (CHEBI:6417) has role metabolite (CHEBI:25212)
(2R,3S,4S)-leucodelphinidin (CHEBI:6417) is a (2R,3S,4S)-leucoanthocyanidin (CHEBI:138176)
(2R,3S,4S)-leucodelphinidin (CHEBI:6417) is a flavan-3,3',4,4',5,5',7-heptol (CHEBI:71216)
(2R,3S,4S)-leucodelphinidin (CHEBI:6417) is a leucoanthocyanidin (CHEBI:60835)
IUPAC Name 
(2R,3S,4S)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,4,5,7-tetrol
Synonyms  Source
LeucodelphinidinKEGG COMPOUND
(2R,3S)-gallocatechin-4β-olChEBI
(2R,3S,4S)-2-(3,4,5-trihydroxyphenyl)chroman-3,4,5,7-tetrolChEBI
(2R,3S,4S)-3,4,5,7,3',4',5'-heptahydroxyflavanChEBI
(2R,3S,4S)-3,3',4,4',5,5',7-heptahydroxyflavanChEBI
Manual XrefsDatabases
C05909KEGG COMPOUND
LeucodelphinidinWikipedia
CPD-7088MetaCyc
LMPK12020209LIPID MAPS
C00008992KNApSAcK
C00020637KNApSAcK
Citations