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CHEBI:71216 - flavan-3,3',4,4',5,5',7-heptol

ChEBI IDCHEBI:71216
ChEBI Nameflavan-3,3',4,4',5,5',7-heptol
Stars
DefinitionA flavanol that is 3,4-dihydro-2H-chromene which is substituted at positions 3, 4, 5, and 7 by hydroxy groups, and at position 2 by a 3,4,5-trihydroxyphenyl group.
Last Modified22 November 2012
SubmitterGareth Owen
DownloadsMolfile
FormulaC15H14O8
Net Charge0
Average Mass322.269
Monoisotopic Mass322.06887
SMILESOc1cc(O)c2c(c1)OC(c1cc(O)c(O)c(O)c1)C(O)C2O
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
InChIKeyZEACOKJOQLAYTD-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
flavan-3,3',4,4',5,5',7-heptol (CHEBI:71216) is a catechols (CHEBI:33566)
flavan-3,3',4,4',5,5',7-heptol (CHEBI:71216) is a glycol (CHEBI:13643)
flavan-3,3',4,4',5,5',7-heptol (CHEBI:71216) is a hydroxyflavan (CHEBI:72010)
flavan-3,3',4,4',5,5',7-heptol (CHEBI:71216) is a polyphenol (CHEBI:26195)
flavan-3,3',4,4',5,5',7-heptol (CHEBI:71216) is a resorcinols (CHEBI:33572)
flavan-3,3',4,4',5,5',7-heptol (CHEBI:71216) is a secondary alcohol (CHEBI:35681)
Incoming Relation(s)
(2R,3S,4S)-leucodelphinidin (CHEBI:6417) is a flavan-3,3',4,4',5,5',7-heptol (CHEBI:71216)
IUPAC Name 
2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,4,5,7-tetrol
Synonyms  Source
leucoefdinChemIDplus
leucoephdineChemIDplus
leukoephdinChemIDplus
leukoefdinChemIDplus
leucodelphinidinChemIDplus
leucoanthocyanidinChEBI
Registry NumbersSources
Reaxys:95193Reaxys
CAS:491-52-1ChemIDplus