EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:75706 - peonidin 3-O-(6-O-(Z)-4-coumaroyl-β-D-glucoside)

ChEBI IDCHEBI:75706
ChEBI Namepeonidin 3-O-(6-O-(Z)-4-coumaroyl-β-D-glucoside)
Stars
ASCII Namepeonidin 3-O-(6-O-(Z)-4-coumaroyl-beta-D-glucoside)
DefinitionAn anthocyanin cation that is peonidin substituted at position 3 by a 6-O-(cis-4 coumaryl)-β-D-glucosyl residue.
Last Modified25 November 2013
Submittermwilliams
DownloadsMolfile
FormulaC31H29O13
Net Charge+1
Average Mass609.560
Monoisotopic Mass609.16027
SMILESCOc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O[C@@H]2O[C@H](COC(=O)/C=C\c3ccc(O)cc3)[C@@H](O)[C@H](O)[C@H]2O)ccc1O
InChIInChI=1S/C31H28O13/c1-40-23-10-16(5-8-20(23)34)30-24(13-19-21(35)11-18(33)12-22(19)42-30)43-31-29(39)28(38)27(37)25(44-31)14-41-26(36)9-4-15-2-6-17(32)7-3-15/h2-13,25,27-29,31,37-39H,14H2,1H3,(H3-,32,33,34,35,36)/p+1/t25-,27-,28+,29-,31-/m1/s1
InChIKeyMFHMTMFSFNMTFQ-GVFKUQRYSA-O
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.
ChEBI Ontology
Outgoing Relation(s)
peonidin 3-O-(6-O-(Z)-4-coumaroyl-β-D-glucoside) (CHEBI:75706) has functional parent cis-4-coumaric acid (CHEBI:17450)
peonidin 3-O-(6-O-(Z)-4-coumaroyl-β-D-glucoside) (CHEBI:75706) has functional parent peonidin (CHEBI:75314)
peonidin 3-O-(6-O-(Z)-4-coumaroyl-β-D-glucoside) (CHEBI:75706) has role metabolite (CHEBI:25212)
peonidin 3-O-(6-O-(Z)-4-coumaroyl-β-D-glucoside) (CHEBI:75706) is a anthocyanin cation (CHEBI:35218)
peonidin 3-O-(6-O-(Z)-4-coumaroyl-β-D-glucoside) (CHEBI:75706) is a aromatic ether (CHEBI:35618)
peonidin 3-O-(6-O-(Z)-4-coumaroyl-β-D-glucoside) (CHEBI:75706) is a cinnamate ester (CHEBI:36087)
peonidin 3-O-(6-O-(Z)-4-coumaroyl-β-D-glucoside) (CHEBI:75706) is a polyphenol (CHEBI:26195)
peonidin 3-O-(6-O-(Z)-4-coumaroyl-β-D-glucoside) (CHEBI:75706) is a β-D-glucoside (CHEBI:22798)
IUPAC Name 
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromenium-3-yl 6-O-[(2Z)-3-(4-hydroxyphenyl)prop-2-enoyl]-β-D-glucopyranoside
Synonym  Source
peonidin-3-O-(6-O-cis-p-coumaryl-β-D-glucoside)ChEBI
Registry NumbersSources
Reaxys:9604757Reaxys