2-(E)-O-feruloyl-D-galactaric acid (CHEBI:52785)

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CHEBI:52785 - 2-(E)-O-feruloyl-D-galactaric acid

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ChEBI ID	CHEBI:52785
ChEBI Name	2-(E)-O-feruloyl-D-galactaric acid
Stars
ASCII Name	2-(E)-O-feruloyl-D-galactaric acid
Definition	O-Feruloylgalactaric acid in which the hydroxy proton replaced by the feruloyl group is the one at C-2 when the galactaric acid molecule is oriented in the D-configuration.
Last Modified	21 May 2021
Submitter	Marcus Ennis
Downloads	Molfile

Formula	C16H18O11
Net Charge	0
Average Mass	386.309
Monoisotopic Mass	386.08491
SMILES	COc1cc(/C=C/C(=O)O[C@@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)O)ccc1O
InChI	InChI=1S/C16H18O11/c1-26-9-6-7(2-4-8(9)17)3-5-10(18)27-14(16(24)25)12(20)11(19)13(21)15(22)23/h2-6,11-14,17,19-21H,1H3,(H,22,23)(H,24,25)/b5-3+/t11-,12+,13+,14-/m1/s1
InChIKey	JZRAOXRUPYISEN-MOEPPVLCSA-N

ChEBI Ontology

Outgoing Relation(s)
	2-(E)-O-feruloyl-D-galactaric acid (CHEBI:52785) has functional parent galactaric acid (CHEBI:30852)
	2-(E)-O-feruloyl-D-galactaric acid (CHEBI:52785) is a O-feruloylgalactaric acid (CHEBI:16590)
	2-(E)-O-feruloyl-D-galactaric acid (CHEBI:52785) is conjugate acid of 2-(E)-O-feruloyl-D-galactarate(2−) (CHEBI:58901)
Incoming Relation(s)
	2-(E)-O-feruloyl-D-galactarate(2−) (CHEBI:58901) is conjugate base of 2-(E)-O-feruloyl-D-galactaric acid (CHEBI:52785)

IUPAC Name
2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-D-galactaric acid

Synonyms	Source
2'-(E)-O-Feruloyl-D-galactaric acid	KEGG COMPOUND
O-Feruloylgalactaric acid	KEGG COMPOUND
2'-(E)-O-Feruloylgalactaric acid	KEGG COMPOUND

Manual Xrefs	Databases
C03156	KEGG COMPOUND

Registry Numbers	Sources
Beilstein:6772911	Beilstein

Citations