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CHEBI:191959 - Theaflavic acid

ChEBI IDCHEBI:191959
ChEBI NameTheaflavic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H16O10
Net Charge0
Average Mass428.349
Monoisotopic Mass428.07435
SMILESO=C(O)c1cc(=O)c(O)c2c(O)c(O)cc(C3Oc4cc(O)cc(O)c4CC3O)c2c1
InChIInChI=1S/C21H16O10/c22-8-3-12(23)11-6-15(26)20(31-16(11)4-8)10-5-14(25)19(28)17-9(10)1-7(21(29)30)2-13(24)18(17)27/h1-5,15,20,22-23,25-26,28H,6H2,(H,24,27)(H,29,30)
InChIKeySDSXQESYQIRNNR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Populus trichocarpa (ncbitaxon:3694) root (BTO:0001188) MetaboLights (MTBLS4196)
ChEBI Ontology
Outgoing Relation(s)
Theaflavic acid (CHEBI:191959) is a catechin (CHEBI:23053)
IUPAC Name 
3,4,5-trihydroxy-6-oxo-1-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)benzo[7]annulene-8-carboxylic acid
Manual XrefsDatabases
HMDB0040609HMDB
4832726ChemSpider