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ChEBI
> Main
CHEBI:52785 - 2-(
E
)-
O
-feruloyl-
D
-galactaric acid
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ChEBI Name
2-(
E
)-
O
-feruloyl-
D
-galactaric acid
ChEBI ID
CHEBI:52785
ChEBI 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.
Stars
This entity has been manually annotated by the ChEBI Team.
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Molfile
Molfile
Formula
C16H18O11
Net Charge
0
Average Mass
386.309
Monoisotopic Mass
386.08491
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
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
ChEBI Ontology
Outgoing
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
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
-[(2
E
)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-
D
-galactaric acid
Synonyms
Sources
2'-(
E
)-
O
-Feruloyl-
D
-galactaric acid
KEGG COMPOUND
2'-(E)-O-Feruloylgalactaric acid
KEGG COMPOUND
O-Feruloylgalactaric acid
KEGG COMPOUND
Manual Xref
Database
C03156
KEGG COMPOUND
View more database links
Registry Number
Type
Source
6772911
Beilstein Registry Number
Beilstein
Citation
Type
Source
33791332
PubMed citation
Europe PMC
Last Modified
21 May 2021