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(2R,3S)-trans-coutaric acid

Properties

Image

Occurences in reactions

MNX_ID

MNXM120600

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

formula

C₁₃H₁₂O₈

charge

mass

296.05322

reference

InChIKey

INYJZRKTYXTZHP-MFFLNWJUSA-N

InChI

InChI=1S/C13H12O8/c14-8-4-1-7(2-5-8)3-6-9(15)21-11(13(19)20)10(16)12(17)18/h1-6,10-11,14,16H,(H,17,18)(H,19,20)/b6-3+/t10-,11+/m1/s1

SMILES

O=C(/C=C/c1ccc(O)cc1)O[C@H](C(=O)O)[C@@H](O)C(=O)O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:76095 chebi:76095	(2R,3S)-trans-coutaric acid (2R,3S)-2-hydroxy-3-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}butanedioic acid trans-coutaric acid
seed.compound:cpd31935 seedM:cpd31935	(2R,3S)-trans-coutarate 2R,3S)-2-hydroxy-3-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}butanedioic acid trans-coutarate trans-coutaric acid trans-p-coumaroyltartaric acid
metacyc.compound:CPD-16578 metacycM:CPD-16578	trans-coutarate (2R,3S)-trans-coutarate 2R,3S)-2-hydroxy-3-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}butanedioic acid trans-coutaric acid trans-p-coumaroyltartaric acid
seedM:M_cpd31935	secondary/obsolete/fantasy identifier