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CHEBI:66227 - Thonningianin A

ChEBI IDCHEBI:66227
ChEBI NameThonningianin A
Stars
DefinitionA natural product found in Thonningia sanguinea.
Last Modified22 September 2014
DownloadsMolfile
FormulaC42H34O21
Net Charge0
Average Mass874.713
Monoisotopic Mass874.15926
SMILES[H][C@@]12COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@@]1([H])[C@H](OC(=O)c1cc(O)c(O)c(O)c1)[C@@H](O)[C@H](Oc1cc(O)c(C(=O)CCc3ccccc3)c(O)c1)O2
InChIInChI=1S/C42H34O21/c43-20(7-6-15-4-2-1-3-5-15)30-21(44)10-17(11-22(30)45)60-42-36(55)38(63-39(56)16-8-23(46)31(50)24(47)9-16)37-27(61-42)14-59-40(57)18-12-25(48)32(51)34(53)28(18)29-19(41(58)62-37)13-26(49)33(52)35(29)54/h1-5,8-13,27,36-38,42,44-55H,6-7,14H2/t27-,36-,37-,38-,42-/m1/s1
InChIKeyXQVKQEFQGYTUAR-VHBRHXFYSA-N
Species of MetaboliteComponentSourceComments
Thonningia sanguinea (IPNI:329935-2) - PubMed (10843586)
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:
astringent  A compound that causes the contraction of body tissues, typically used to reduce bleeding from minor abrasions.
ChEBI Ontology
Outgoing Relation(s)
Thonningianin A (CHEBI:66227) has role metabolite (CHEBI:25212)
Thonningianin A (CHEBI:66227) is a tannin (CHEBI:26848)
Synonym  Source
(11aR,13S,14R,15R,15aR)-13-[3,5-Dihydroxy-4-(3-phenylpropanoyl)phenoxy]-2,3,4,5,6,7,14-heptahydroxy-9,17-dioxo-9,11,11a,13,14,15,15a,17-octahydrodibenzo[g,i]pyrano[3,2-b][1,5]dioxacycloundecin-15-yl 3 ,4,5-trihydroxybenzoateChEBI
Citations