CHEBI:85145 - (2S)-eriodictyol 7-O-(6''-O-galloyl)-β-D-glucopyranoside

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (2S)-eriodictyol 7-O-(6''-O-galloyl)-β-D-glucopyranoside
ChEBI ID CHEBI:85145
ChEBI ASCII Name (2S)-eriodictyol 7-O-(6''-O-galloyl)-beta-D-glucopyranoside
Definition A monosaccharide derivative that is eriodictyol attached to a (6''-O-galloyl)-β-D-glucopyranosyl residue at position 7 via a glycosidic linkage.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C28H26O15
Net Charge 0
Average Mass 602.49700
Monoisotopic Mass 602.12717
InChI InChI=1S/C28H26O15/c29-13-2-1-10(3-14(13)30)19-8-16(32)22-15(31)6-12(7-20(22)42-19)41-28-26(38)25(37)24(36)21(43-28)9-40-27(39)11-4-17(33)23(35)18(34)5-11/h1-7,19,21,24-26,28-31,33-38H,8-9H2/t19-,21+,24+,25-,26+,28+/m0/s1
InChIKey SHPCBRSOJXQRDY-RKLFNRSMSA-N
SMILES O[C@H]1[C@H](O)[C@@H](COC(=O)c2cc(O)c(O)c(O)c2)O[C@@H](Oc2cc(O)c3C(=O)C[C@H](Oc3c2)c2ccc(O)c(O)c2)[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 (2S)-eriodictyol 7-O-(6''-O-galloyl)-β-D-glucopyranoside (CHEBI:85145) has functional parent eriodictyol (CHEBI:28412)
(2S)-eriodictyol 7-O-(6''-O-galloyl)-β-D-glucopyranoside (CHEBI:85145) has role plant metabolite (CHEBI:76924)
(2S)-eriodictyol 7-O-(6''-O-galloyl)-β-D-glucopyranoside (CHEBI:85145) is a β-D-glucoside (CHEBI:22798)
(2S)-eriodictyol 7-O-(6''-O-galloyl)-β-D-glucopyranoside (CHEBI:85145) is a 3'-hydroxyflavanones (CHEBI:48024)
(2S)-eriodictyol 7-O-(6''-O-galloyl)-β-D-glucopyranoside (CHEBI:85145) is a 4'-hydroxyflavanones (CHEBI:140331)
(2S)-eriodictyol 7-O-(6''-O-galloyl)-β-D-glucopyranoside (CHEBI:85145) is a gallate ester (CHEBI:37576)
(2S)-eriodictyol 7-O-(6''-O-galloyl)-β-D-glucopyranoside (CHEBI:85145) is a monosaccharide derivative (CHEBI:63367)
(2S)-eriodictyol 7-O-(6''-O-galloyl)-β-D-glucopyranoside (CHEBI:85145) is a trihydroxyflavanone (CHEBI:38739)
IUPAC Name
2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl 6-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranoside
Synonym Source
(2S)-5,7,3',4'-Tetrahydroxyflavanone 7-(6-galloylglucoside) KNApSAcK
Manual Xref Database
C00014340 KNApSAcK
View more database links
Registry Number Type Source
9245550 Reaxys Registry Number Reaxys
Last Modified
05 April 2018