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CHEBI:65943 - 7-O-galloyltricetiflavan

Default Structure
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:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
antiviral agent  A substance that destroys or inhibits replication of viruses.
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