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2-O-[(E)-sinapoyl]-D-glucarate

Properties

Image

Occurences in reactions

MNX_ID

MNXM5479

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

formula

C₁₇H₁₈O₁₂

charge

-2

mass

414.08092

reference

chebi:58793

InChIKey

XQQYFEOTBHJJDK-GRRSETRSSA-L

InChI

InChI=1S/C17H20O12/c1-27-8-5-7(6-9(28-2)11(8)19)3-4-10(18)29-15(17(25)26)13(21)12(20)14(22)16(23)24/h3-6,12-15,19-22H,1-2H3,(H,23,24)(H,25,26)/p-2/b4-3+/t12-,13-,14-,15+/m0/s1

SMILES

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

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58793 chebi:58793	2-O-[(E)-sinapoyl]-D-glucarate (2S,3S,4S,5R)-2,3,4-trihydroxy-5-{[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}hexanedioate 2-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]-D-glucarate 2-O-sinapoyl-D-glucarate(2-)
CHEBI:49198 chebi:49198	2-O-sinapoyl-D-glucaric acid 2-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]-D-glucaric acid
seed.compound:cpd01842 seedM:cpd01842	O-Sinapoylglucarate 6-[4-(2-carboxyvinyl)-2,6-dimethoxy-phenoxy]-2,3,4,5- tetrahydroxy-6-oxo-hexanoic acid O-sinapoylglucarate
metacyc.compound:O-SINAPOYLGLUCARATE metacycM:O-SINAPOYLGLUCARATE	O-sinapoylglucarate 6-[4-(2-carboxyvinyl)-2,6-dimethoxy-phenoxy]-2,3,4,5- tetrahydroxy-6-oxo-hexanoic acid
seedM:M_cpd01842	secondary/obsolete/fantasy identifier