MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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2-O-[(E)-feruloyl]-D-galactarate

MNXM168723 is deprecated and here replaced by MNXM1363923
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM1363923
reference	chebi:58901
formula	C₁₆H₁₆O₁₁
global charge	-2
mol weight	384.293
InChIKey	JZRAOXRUPYISEN-MOEPPVLCSA-L
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)/p-2/b5-3+/t11-,12+,13+,14-/m1/s1
SMILES	COC1=CC(/C=C/C(=O)O[C@@H](C(=O)[O-])[C@@H](O)[C@@H](O)[C@H](O)C(=O)[O-])=CC=C1O

MNX internals

InChI (mnx)	InChI=1/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
SMILES (mnx)	[CH3:1][O:26][C:9]1=[C:8]([OH:17])[CH:4]=[CH:2][C:7](/[CH:3]=[CH:5]/[C:10](=[O:18])[O:27][C@H:14]([C@H:12]([C@H:11]([C@@H:13]([C:15](=[O:22])[OH:23])[OH:21])[OH:19])[OH:20])[C:16](=[O:24])[OH:25])=[CH:6]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58901 chebi:58901 JZRAOXRUPYISEN-MOEPPVLCSA-L	2-O-[(E)-feruloyl]-D-galactarate 2-(E)-O-feruloyl-D-galactarate(2-) 2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-D-galactarate
CHEBI:52785 chebi:52785 JZRAOXRUPYISEN-MOEPPVLCSA-N	2-(E)-O-feruloyl-D-galactaric acid 2'-(E)-O-Feruloyl-D-galactaric acid 2'-(E)-O-Feruloylgalactaric acid 2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-D-galactaric acid O-Feruloylgalactaric acid
seed.compound:cpd02020 seedM:cpd02020 JZRAOXRUPYISEN-MOEPPVLCSA-L	O-Feruloylgalactarate 2'-(E)-O-Feruloylgalactaric acid 2'-(E)-O-feruloylgalactaric acid O-Feruloylgalactaric acid O-feruloylgalactarate O-feruloylgalactaric acid
kegg.compound:C03156 keggC:C03156 JZRAOXRUPYISEN-MOEPPVLCSA-N	O-Feruloylgalactarate 2'-(E)-O-Feruloylgalactaric acid O-Feruloylgalactaric acid
keggC:M_C03156 seedM:M_cpd02020	secondary/obsolete/fantasy identifier