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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name flavan-3,3',4,4',5,5',7-heptol
ChEBI ID CHEBI:71216
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C15H14O8
Net Charge 0
Average Mass 322.26690
Monoisotopic Mass 322.06887
InChI InChI=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
InChIKey ZEACOKJOQLAYTD-UHFFFAOYSA-N
SMILES OC1C(O)c2c(O)cc(O)cc2OC1c1cc(O)c(O)c(O)c1
ChEBI Ontology
Outgoing 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 (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 Sources
2-(3,4,5-trihydroxyphenyl)chroman-3,4,5,7-tetrol ChEBI
3,4,5,7,3',4',5'-heptahydroxyflavan ChEBI
leucoanthocyanidin ChEBI
leucodelphinidin ChemIDplus
leucoefdin ChemIDplus
leucoephdine ChemIDplus
leukoefdin ChemIDplus
leukoephdin ChemIDplus
Registry Numbers Types Sources
491-52-1 CAS Registry Number ChemIDplus
95193 Reaxys Registry Number Reaxys
Last Modified
22 November 2012