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CHEBI:66228 - Thonningianin B

ChEBI IDCHEBI:66228
ChEBI NameThonningianin B
Stars
DefinitionA natural product found in Thonningia sanguinea.
Last Modified22 September 2014
DownloadsMolfile
FormulaC35H30O17
Net Charge0
Average Mass722.608
Monoisotopic Mass722.14830
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](O)[C@@H](O)[C@H](Oc1cc(O)c(C(=O)CCc3ccccc3)c(O)c1)O2
InChIInChI=1S/C35H30O17/c36-17(7-6-13-4-2-1-3-5-13)25-18(37)8-14(9-19(25)38)50-35-31(46)30(45)32-22(51-35)12-49-33(47)15-10-20(39)26(41)28(43)23(15)24-16(34(48)52-32)11-21(40)27(42)29(24)44/h1-5,8-11,22,30-32,35,37-46H,6-7,12H2/t22-,30-,31-,32-,35-/m1/s1
InChIKeyUJNCWORGHSATHA-XWSAIMBSSA-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 B (CHEBI:66228) has role metabolite (CHEBI:25212)
Thonningianin B (CHEBI:66228) is a tannin (CHEBI:26848)
Citations