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

EMBL-EBI | Chemical Biology | ChEBI

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

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

Take structure to advanced search

ChEBI ID	CHEBI:85145
ChEBI Name	(2S)-eriodictyol 7-O-(6''-O-galloyl)-β-D-glucopyranoside
Stars
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.
Last Modified	5 April 2018
Submitter	namrata
Downloads	Molfile

Formula	C28H26O15
Net Charge	0
Average Mass	602.501
Monoisotopic Mass	602.12717
SMILES	O=C(OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)O[C@H](c2ccc(O)c(O)c2)CC3=O)[C@H](O)[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1
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

Species of Metabolite	Component	Source	Comments
Centella asiatica (ncbitaxon:48106)	-	MetaboLights (MTBLS175)

Roles Classification

Biological Role:

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)
	(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 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)
	(2S)-eriodictyol 7-O-(6''-O-galloyl)-β-D-glucopyranoside (CHEBI:85145) is a β-D-glucoside (CHEBI:22798)

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 Xrefs	Databases
C00014340	KNApSAcK

Registry Numbers	Sources
Reaxys:9245550	Reaxys