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sinapoyl (S)-malate

Properties

Image

Occurences in reactions

MNX_ID

MNXM1377793

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	1

formula

C₁₅H₁₄O₉

charge

-2

mass

338.268

reference

chebi:57426

InChIKey

SVOZVFTXNDIEBH-NWALNABHSA-L

InChI

InChI=1S/C15H16O9/c1-22-10-5-8(3-4-12(17)18)6-11(23-2)14(10)24-15(21)9(16)7-13(19)20/h3-6,9,16H,7H2,1-2H3,(H,17,18)(H,19,20)/p-2/b4-3+/t9-/m0/s1

SMILES

[CH3:1][O:22][c:10]1[cH:5][c:8](/[CH:3]=[CH:4]/[C:12](=[O:17])[OH:18])[cH:6][c:11]([O:23][CH3:2])[c:14]1[O:24][C:15]([C@H:9]([CH2:7][C:13](=[O:19])[OH:20])[OH:16])=[O:21]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:57426 chebi:57426	sinapoyl (S)-malate (3S)-4-{4-[(E)-2-carboxylatoethenyl]-2,6-dimethoxyphenoxy}-3-hydroxy-4-oxobutanoate (3S)-4-{4-[(E)-2-carboxylatovinyl]-2,6-dimethoxyphenoxy}-3-hydroxy-4-oxobutanoate 3-(4-{[(2S)-3-carboxy-2-hydroxypropanoyl]oxy}-3,5-dimethoxyphenyl)acrylate 3-(4-{[(2S)-3-carboxy-2-hydroxypropanoyl]oxy}-3,5-dimethoxyphenyl)prop-2-enoate sinapoyl (S)-malate(2-)
seed.compound:cpd01849 seedM:cpd01849	Sinapoyl malate Sinapoyl-(S)-malate sinapoyl-(S)-malate
CHEBI:15596 chebi:15596	sinapic acid (S)-malate ester 3-(4-{[(2S)-3-carboxy-2-hydroxypropanoyl]oxy}-3,5-dimethoxyphenyl)prop-2-enoic acid Sinapoyl-(S)-malate
chebi:15086 chebi:26685 chebi:9154 seedM:M_cpd01849	secondary/obsolete/fantasy identifier