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CHEBI:57575 - trans-5-O-(4-coumaroyl)-D-quinate

Default Structure
ChEBI IDCHEBI:57575
ChEBI Nametrans-5-O-(4-coumaroyl)-D-quinate
Stars
ASCII Nametrans-5-O-(4-coumaroyl)-D-quinate
DefinitionThe conjugate base of trans-5-O-(4-coumaroyl)-D-quinic acid.
Last Modified13 November 2017
DownloadsMolfile
FormulaC16H17O8
Net Charge-1
Average Mass337.304
Monoisotopic Mass337.09289
SMILESO=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@](O)(C(=O)[O-])C[C@@H](O)[C@H]1O
InChIInChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/p-1/b6-3+/t11-,12-,14-,16+/m1/s1
InChIKeyBMRSEYFENKXDIS-OTCYKTEZSA-M
ChEBI Ontology
Outgoing Relation(s)
trans-5-O-(4-coumaroyl)-D-quinate (CHEBI:57575) is a hydroxy monocarboxylic acid anion (CHEBI:36059)
trans-5-O-(4-coumaroyl)-D-quinate (CHEBI:57575) is conjugate base of trans-5-O-(4-coumaroyl)-D-quinic acid (CHEBI:15937)
Incoming Relation(s)
trans-5-O-(4-coumaroyl)-D-quinic acid (CHEBI:15937) is conjugate acid of trans-5-O-(4-coumaroyl)-D-quinate (CHEBI:57575)
IUPAC Name 
(1S,3R,4R,5R)-1,3,4-trihydroxy-5-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyloxy]cyclohexanecarboxylate
UniProt Name  Source
trans-5-O-(4-coumaroyl)-D-quinateUniProt