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CHEBI:66280 - Tungtungmadic acid

ChEBI IDCHEBI:66280
ChEBI NameTungtungmadic acid
Stars
DefinitionA natural product found in Salicornia herbacea.
Last Modified22 September 2014
DownloadsMolfile
FormulaC25H26O12
Net Charge0
Average Mass518.471
Monoisotopic Mass518.14243
SMILESO=C(/C=C/c1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1OC(=O)CCc1ccc(O)c(O)c1
InChIInChI=1S/C25H26O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-3,5-7,9-10,19-20,23,26-30,35H,4,8,11-12H2,(H,33,34)/b7-3+
InChIKeyWPEARBZAFBYHRG-XVNBXDOJSA-N
Species of MetaboliteComponentSourceComments
Salicornia herbacea (ncbitaxon:259302) whole plant (BTO:0001461) PubMed (16276965)
Roles Classification
Chemical Roles:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
Tungtungmadic acid (CHEBI:66280) has role metabolite (CHEBI:25212)
Tungtungmadic acid (CHEBI:66280) is a quinic acid (CHEBI:26493)
Synonym  Source
3-caffeoyl-4-dihydrocaffeoyl quinic acidChEBI
Citations