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CHEBI:136612 - Theasinensin F

ChEBI IDCHEBI:136612
ChEBI NameTheasinensin F
Stars
Last Modified22 March 2017
SubmitterKeeva
DownloadsMolfile
FormulaC44H34O21
Net Charge0
Average Mass898.735
Monoisotopic Mass898.15926
SMILES[H][C@]1(c2cc(O)c(O)c(O)c2-c2cc(O)c(O)cc2[C@H]2Oc3cc(O)cc(O)c3C[C@H]2OC(=O)c2cc(O)c(O)c(O)c2)Oc2cc(O)cc(O)c2C[C@H]1OC(=O)c1cc(O)c(O)c(O)c1
InChIInChI=1S/C44H34O21/c45-16-5-23(47)20-12-34(64-43(60)14-1-27(51)37(56)28(52)2-14)41(62-32(20)7-16)19-10-26(50)25(49)9-18(19)36-22(11-31(55)39(58)40(36)59)42-35(13-21-24(48)6-17(46)8-33(21)63-42)65-44(61)15-3-29(53)38(57)30(54)4-15/h1-11,34-35,41-42,45-59H,12-13H2/t34-,35-,41-,42-/m1/s1
InChIKeyJLFHSPGTENNODT-WLDZFSAMSA-N
ChEBI Ontology
Outgoing Relation(s)
Theasinensin F (CHEBI:136612) is a catechin (CHEBI:23053)
IUPAC Name 
(4,4',5,5',6-Pentahydroxy-2,2'-biphenyldiyl)bis[(2R,3R)-5,7-dihydroxy-3,4-dihydro-2H-chromene-2,3-diyl] bis(3,4,5-trihydroxybenzoate)
Manual XrefsDatabases
410677ChemSpider
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