CHEBI:80475 - pelargonidin 3-(6-p-coumaroyl)glucoside

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name pelargonidin 3-(6-p-coumaroyl)glucoside
ChEBI ID CHEBI:80475
ChEBI ASCII Name pelargonidin 3-(6-p-coumaroyl)glucoside
Definition An anthocyanidin glycoside that is the cinnamate ester obtained by the formal condensation of 6''-hydroxy group of pelargonidin 3-O-β-D-glucoside with trans-4-coumaric acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C30H27O12
Net Charge +1
Average Mass 579.52760
Monoisotopic Mass 579.14970
InChI InChI=1S/C30H26O12/c31-17-6-1-15(2-7-17)3-10-25(35)39-14-24-26(36)27(37)28(38)30(42-24)41-23-13-20-21(34)11-19(33)12-22(20)40-29(23)16-4-8-18(32)9-5-16/h1-13,24,26-28,30,36-38H,14H2,(H3-,31,32,33,34,35)/p+1/t24-,26-,27+,28-,30-/m1/s1
InChIKey VZPBBOAZFCREMQ-SHPGVJHPSA-O
SMILES O[C@@H]1[C@@H](COC(=O)\C=C\c2ccc(O)cc2)O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)cc2)[C@H](O)[C@H]1O
Metabolite of Species Details
Centella asiatica (NCBI:txid48106) See: MetaboLights Study
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing pelargonidin 3-(6-p-coumaroyl)glucoside (CHEBI:80475) has functional parent trans-4-coumaric acid (CHEBI:32374)
pelargonidin 3-(6-p-coumaroyl)glucoside (CHEBI:80475) has functional parent pelargonidin 3-O-β-D-glucoside (CHEBI:31967)
pelargonidin 3-(6-p-coumaroyl)glucoside (CHEBI:80475) has role plant metabolite (CHEBI:76924)
pelargonidin 3-(6-p-coumaroyl)glucoside (CHEBI:80475) is a anthocyanidin glycoside (CHEBI:71583)
pelargonidin 3-(6-p-coumaroyl)glucoside (CHEBI:80475) is a cinnamate ester (CHEBI:36087)
pelargonidin 3-(6-p-coumaroyl)glucoside (CHEBI:80475) is a monosaccharide derivative (CHEBI:63367)
IUPAC Name
5,7-dihydroxy-2-(4-hydroxyphenyl)-1-benzopyran-1-ium-3-yl 6-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-β-D-glucopyranoside
Manual Xrefs Databases
C00006756 KNApSAcK
C16368 KEGG COMPOUND
View more database links
Last Modified
09 March 2015