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CHEBI:212927 - (-)-4-O-(4-O-beta-D-glucopyranosylcaffeoyl)quinic acid

ChEBI IDCHEBI:212927
ChEBI Name(-)-4-O-(4-O-beta-D-glucopyranosylcaffeoyl)quinic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H28O14
Net Charge0
Average Mass516.452
Monoisotopic Mass516.14791
SMILESO=C(/C=C/c1ccc(O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c(O)c1)OC1[C@H](O)CC(O)(C(=O)O)C[C@H]1O
InChIInChI=1S/C22H28O14/c23-8-14-16(28)17(29)18(30)20(35-14)34-13-3-1-9(5-10(13)24)2-4-15(27)36-19-11(25)6-22(33,21(31)32)7-12(19)26/h1-5,11-12,14,16-20,23-26,28-30,33H,6-8H2,(H,31,32)/b4-2+/t11-,12-,14+,16+,17-,18+,19?,20+,22?/m1/s1
InChIKeyWFYFOXSDFJBMRW-LRINATJCSA-N
Roles Classification
Application:
astringent  A compound that causes the contraction of body tissues, typically used to reduce bleeding from minor abrasions.
ChEBI Ontology
Outgoing Relation(s)
(-)-4-O-(4-O-beta-D-glucopyranosylcaffeoyl)quinic acid (CHEBI:212927) is a tannin (CHEBI:26848)
IUPAC Name 
(3R,5R)-1,3,5-trihydroxy-4-[(E)-3-[3-hydroxy-4-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoyl]oxycyclohexane-1-carboxylic acid