Terminology Service for NFDI4Health
JSON

prunin 6''-O-gallate

Go to external page http://purl.obolibrary.org/obo/CHEBI_73787

A flavanone glycoside that is (2S)-flavanone substituted by hydroxy groups at positions 5 and 4', and a (6''-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranosyloxy residue at position 7.

Term info

Label

prunin 6''-O-gallate

Synonyms
  • (2S)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 6-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranoside
database cross reference
Subsets

3_STAR

IUPAC NAME
(2S)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 6-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranoside [ IUPAC ]

charge

0

formula

C28H26O14

has obo namespace

chebi_ontology

has related synonym

5,7,4'-trihydroxyflavanone 7-O-glucoside-6"-O-gallate

id

CHEBI:73787

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

mass

586.49760

monoisotopicmass

586.13226

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