EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:136610 - Theasinensin B

ChEBI IDCHEBI:136610
ChEBI NameTheasinensin B
Stars
Last Modified22 March 2017
SubmitterKeeva
DownloadsMolfile
FormulaC37H30O18
Net Charge0
Average Mass762.629
Monoisotopic Mass762.14321
SMILES[H][C@]1(c2cc(O)c(O)c(O)c2-c2c([C@@]3([H])Oc4cc(O)cc(O)c4C[C@H]3OC(=O)c3cc(O)c(O)c(O)c3)cc(O)c(O)c2O)Oc2cc(O)cc(O)c2C[C@H]1O
InChIInChI=1S/C37H30O18/c38-12-3-18(40)14-7-24(46)35(53-25(14)5-12)16-8-22(44)31(48)33(50)28(16)29-17(9-23(45)32(49)34(29)51)36-27(10-15-19(41)4-13(39)6-26(15)54-36)55-37(52)11-1-20(42)30(47)21(43)2-11/h1-6,8-9,24,27,35-36,38-51H,7,10H2/t24-,27-,35-,36-/m1/s1
InChIKeyCTVAVEOYQKVFFY-DUSGSIEYSA-N
Roles Classification
Application:
astringent  A compound that causes the contraction of body tissues, typically used to reduce bleeding from minor abrasions.
ChEBI Ontology
Outgoing Relation(s)
Theasinensin B (CHEBI:136610) is a tannin (CHEBI:26848)
IUPAC Name 
(2R,3R)-2-{2',3',4,4',5,6-Hexahydroxy-6'-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]-2-biphenylyl}-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate
Manual XrefsDatabases
410676ChemSpider
HMDB0038359HMDB