CHEBI:75707 - peonidin 3-O-(6-O-(E)-4-coumaroyl-β-D-glucoside)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name peonidin 3-O-(6-O-(E)-4-coumaroyl-β-D-glucoside)
ChEBI ID CHEBI:75707
ChEBI ASCII Name peonidin 3-O-(6-O-(E)-4-coumaroyl-beta-D-glucoside)
Definition An anthocyanin cation that is peonidin substituted at position 3 by a 6-O-(trans-4 coumaryl)-β-D-glucosyl residue
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
more structures >>
Formula C31H29O13
Net Charge +1
Average Mass 609.55420
Monoisotopic Mass 609.16027
InChI InChI=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
InChIKey MFHMTMFSFNMTFQ-GVFKUQRYSA-O
SMILES COc1cc(ccc1O)-c1[o+]c2cc(O)cc(O)c2cc1O[C@@H]1O[C@H](COC(=O)\C=C\c2ccc(O)cc2)[C@@H](O)[C@H](O)[C@H]1O
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing peonidin 3-O-(6-O-(E)-4-coumaroyl-β-D-glucoside) (CHEBI:75707) has functional parent trans-4-coumaric acid (CHEBI:32374)
peonidin 3-O-(6-O-(E)-4-coumaroyl-β-D-glucoside) (CHEBI:75707) has functional parent peonidin (CHEBI:75314)
peonidin 3-O-(6-O-(E)-4-coumaroyl-β-D-glucoside) (CHEBI:75707) has role metabolite (CHEBI:25212)
peonidin 3-O-(6-O-(E)-4-coumaroyl-β-D-glucoside) (CHEBI:75707) is a β-D-glucoside (CHEBI:22798)
peonidin 3-O-(6-O-(E)-4-coumaroyl-β-D-glucoside) (CHEBI:75707) is a anthocyanin cation (CHEBI:35218)
peonidin 3-O-(6-O-(E)-4-coumaroyl-β-D-glucoside) (CHEBI:75707) is a aromatic ether (CHEBI:35618)
peonidin 3-O-(6-O-(E)-4-coumaroyl-β-D-glucoside) (CHEBI:75707) is a cinnamate ester (CHEBI:36087)
peonidin 3-O-(6-O-(E)-4-coumaroyl-β-D-glucoside) (CHEBI:75707) is a polyphenol (CHEBI:26195)
IUPAC Name
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromenium-3-yl 6-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-β-D-glucoside-glucopyranoside
Synonym Source
peonidin-3-O-(6-O-trans-p-coumaryl-β-D-glucoside) ChEBI
Registry Number Type Source
9604758 Reaxys Registry Number Reaxys
Last Modified
25 November 2013