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(E)-sinapoyltartronate

Properties

Image

Occurences in reactions

MNX_ID

MNXM4825

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

formula

C₁₄H₁₂O₉

charge

-2

mass

324.04923

reference

InChIKey

BILXTXFCLYPNMR-ONEGZZNKSA-L

InChI

InChI=1S/C14H14O9/c1-21-8-5-7(6-9(22-2)11(8)16)3-4-10(15)23-12(13(17)18)14(19)20/h3-6,12,16H,1-2H3,(H,17,18)(H,19,20)/p-2/b4-3+

SMILES

COc1cc(/C=C/C(=O)OC(C(=O)[O-])C(=O)[O-])cc(OC)c1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:57680 chebi:57680	(E)-sinapoyltartronate [(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyloxy]propanedioate sinapoyltartronate dianion sinapoyltartronate(2-)
kegg.compound:C02750 keggC:C02750	Sinapoyltartronate
seed.compound:cpd01780 seedM:cpd01780	Sinapoyltartronate 2-sinapoyltartronate sinapoyltartronate
metacyc.compound:SINAPOYLTARTRONATE metacycM:SINAPOYLTARTRONATE	sinapoyltartronate 2-sinapoyltartronate
CHEBI:16210 chebi:16210	sinapoyltartronic acid Sinapoyltartronate [(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyloxy]propanedioic acid trans-sinapoyltartronate {[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}malonic acid
chebi:15089 chebi:26688 chebi:9157 keggC:M_C02750 seedM:M_cpd01780	secondary/obsolete/fantasy identifier