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M  END
> <ID>
CHEBI:52785

> <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.

> <STAR>
3

> <SYNONYM>
O-Feruloylgalactaric acid; 2'-(E)-O-Feruloylgalactaric acid; 2'-(E)-O-Feruloyl-D-galactaric acid

> <IUPAC_NAME>
2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-D-galactaric acid

> <FORMULA>
C16H18O11

> <MASS>
386.309

> <MONOISOTOPIC_MASS>
386.08491

> <CHARGE>
0

> <SMILES>
COC1=CC(\C=C\C(=O)O[C@H]([C@@H](O)[C@@H](O)[C@H](O)C(O)=O)C(O)=O)=CC=C1O

> <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

> <BEILSTEIN_REGISTRY_NUMBER>
6772911

> <KEGG_COMPOUND_ACCESSION>
C03156

> <PUBMED_CITATION>
33791332

$$$$