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CHEBI:65943 - 7-O-galloyltricetiflavan

ChEBI IDCHEBI:65943
ChEBI Name7-O-galloyltricetiflavan
Stars
ASCII Name7-O-galloyltricetiflavan
DefinitionA gallate ester obtained by the formal condensation of gallic acid with the hydroxy group at position 7 of 3',4',5',5,7-pentahydroxyflavan. Isolated from the leaves of Pithecellobium clypearia, it exhibits antiviral activity.
Last Modified6 February 2013
DownloadsMolfile
FormulaC22H18O10
Net Charge0
Average Mass442.376
Monoisotopic Mass442.09000
SMILESO=C(Oc1cc(O)c2c(c1)OC(c1cc(O)c(O)c(O)c1)CC2)c1cc(O)c(O)c(O)c1
InChIInChI=1S/C22H18O10/c23-13-7-11(31-22(30)10-5-16(26)21(29)17(27)6-10)8-19-12(13)1-2-18(32-19)9-3-14(24)20(28)15(25)4-9/h3-8,18,23-29H,1-2H2
InChIKeyXQLJWQWRTLHKGO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Pithecellobium clypearia (ncbitaxon:714486) leaf (BTO:0000713) PubMed (16724853)
Roles Classification
Biological Roles:
antiviral agent  A substance that destroys or inhibits replication of viruses.
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)
7-O-galloyltricetiflavan (CHEBI:65943) has functional parent flavan (CHEBI:38691)
7-O-galloyltricetiflavan (CHEBI:65943) has role antiviral agent (CHEBI:22587)
7-O-galloyltricetiflavan (CHEBI:65943) has role metabolite (CHEBI:25212)
7-O-galloyltricetiflavan (CHEBI:65943) is a gallate ester (CHEBI:37576)
7-O-galloyltricetiflavan (CHEBI:65943) is a tetrahydroxyflavan (CHEBI:72011)
IUPAC Name 
5-hydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-7-yl 3,4,5-trihydroxybenzoate
Synonym  Source
tricetiflavan-7-O-gallateChEBI
Registry NumbersSources
Reaxys:15869677Reaxys
Citations