CHEBI:73787 - prunin 6''-O-gallate

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ChEBI Name prunin 6''-O-gallate
ChEBI ID CHEBI:73787
ChEBI ASCII Name prunin 6''-O-gallate
Definition A flavanone glycoside that is (2S)-flavanone substituted by hydroxy groups at positions 5 and 4', and a (6''-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranosyloxy residue at position 7.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C28H26O14
Net Charge 0
Average Mass 586.49760
Monoisotopic Mass 586.13226
InChI InChI=1S/C28H26O14/c29-13-3-1-11(2-4-13)19-9-16(31)22-15(30)7-14(8-20(22)41-19)40-28-26(37)25(36)24(35)21(42-28)10-39-27(38)12-5-17(32)23(34)18(33)6-12/h1-8,19,21,24-26,28-30,32-37H,9-10H2/t19-,21+,24+,25-,26+,28+/m0/s1
InChIKey UNTKZTADYPALEE-RKLFNRSMSA-N
SMILES O[C@@H]1[C@@H](COC(=O)c2cc(O)c(O)c(O)c2)O[C@@H](Oc2cc(O)c3C(=O)C[C@H](Oc3c2)c2ccc(O)cc2)[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 prunin 6''-O-gallate (CHEBI:73787) has role metabolite (CHEBI:25212)
prunin 6''-O-gallate (CHEBI:73787) is a β-D-glucoside (CHEBI:22798)
prunin 6''-O-gallate (CHEBI:73787) is a 4'-hydroxyflavanones (CHEBI:140331)
prunin 6''-O-gallate (CHEBI:73787) is a dihydroxyflavanone (CHEBI:38749)
prunin 6''-O-gallate (CHEBI:73787) is a flavanone glycoside (CHEBI:72730)
prunin 6''-O-gallate (CHEBI:73787) is a gallate ester (CHEBI:37576)
prunin 6''-O-gallate (CHEBI:73787) is a monosaccharide derivative (CHEBI:63367)
IUPAC Name
(2S)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 6-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranoside
Synonym Source
5,7,4'-trihydroxyflavanone 7-O-glucoside-6"-O-gallate ChEBI
Manual Xref Database
LMPK12140244 LIPID MAPS
View more database links
Registry Number Type Source
1338509 Reaxys Registry Number Reaxys
Last Modified
05 April 2018